Molecular Properties | |
SMILES: | O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1 |
MW: | 260.09 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 90.06 |
cLogP: | 1.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5592629788 |
MolPort: | MolPort-003-932-449 |
Activity Data | |
Average Inhibition @ 20 µM - Fluorescence: | -7.122139 |
Average Inhibition @ 50 µM - Fluorescence: | 4.0908545 |
Order Status | |
Shipped: | synthesis in progress |
nitro group
Oxygen-nitrogen single bond
aromatic NO2
Dye 16 (1)
NAU-LAT-64f4b287-9
0.382
MAR-TRE-3e4e6814-5
0.378
MAR-TRE-f6f5f473-94
0.369
MAR-TRE-74c6519b-27
0.360
BAR-COM-0f94fc3d-4
0.352
MAR-TRE-3e4e6814-12
0.348
MAR-TRE-f6f5f473-55
0.344
MAR-TRE-3e4e6814-73
0.344
GIA-UNK-3f36037a-5
0.343
MAR-TRE-3e4e6814-14
0.341
GIA-UNK-3f36037a-6
0.338
MAR-TRE-3159af1a-14
0.337
MAR-TRE-4b834d9a-23
0.337
MAR-TRE-f6f5f473-82
0.337
MAR-TRE-4b834d9a-52
0.333
MAR-TRE-3e4e6814-7
0.333
MAR-TRE-b77b7921-1
0.333
MAR-TRE-b77b7921-46
0.330
MAR-TRE-04c86cea-23
0.323
MAR-TRE-04c86cea-6
0.323
MAR-TRE-3e4e6814-84
0.304
NIM-UNI-bb9030bf-1
0.301
MAR-TRE-04c86cea-2
0.299
MAR-TRE-f6f5f473-21
0.299
MAR-TRE-fd17a9b8-91
0.295
MAR-TRE-a3327163-36
0.292
SAD-SAT-2fd372d1-2
0.289
NIC-BIO-3276ca7f-4
0.289
JOH-UNI-c7afdb96-15
0.288
MAR-TRE-04c86cea-52
0.287
MAR-TRE-f6f5f473-20
0.287
MAR-TRE-f6f5f473-34
0.287
MAR-TRE-04c86cea-21
0.287
MAR-TRE-a3327163-30
0.283
MAR-TRE-6a44bbf2-70
0.282
MAR-SOS-82e3a7c7-9
0.277
MAR-SOS-c7881798-9
0.277
MAR-SOS-c7881798-4
0.275
MAR-SOS-82e3a7c7-12
0.275
MAR-TRE-3159af1a-82
0.273
MAR-TRE-f6f5f473-66
0.269
MAR-TRE-b77b7921-54
0.267
SIM-DEM-1d7050d3-1
0.267
MAR-TRE-4b834d9a-50
0.265
MAR-TRE-04c86cea-58
0.265
MAR-TRE-74c6519b-73
0.264
MAR-TRE-3159af1a-28
0.263
MAK-UNK-a7b37c5e-3
0.263
MAR-TRE-04c86cea-60
0.263
MAR-TRE-4b834d9a-39
0.261
AAR-POS-8a4e0f60-4
0.261
ALE-UNK-fca05062-6
0.260
MAR-TRE-04c86cea-92
0.260
MAT-POS-3b92565d-13
0.258
NIC-BIO-3276ca7f-7
0.258
MAR-TRE-74c6519b-6
0.258
SAN-PRS-52b81272-2
0.257
MAR-TRE-4b834d9a-60
0.255
MAR-TRE-4b834d9a-14
0.255
MAR-TRE-b77b7921-4
0.255
MAR-TRE-4b834d9a-93
0.255
MAR-TRE-6a44bbf2-23
0.253
MAR-TRE-74c6519b-47
0.253
MAR-TRE-4b834d9a-6
0.253
MAR-TRE-4b834d9a-13
0.253
MAR-TRE-f6f5f473-90
0.250
ALE-UNK-fca05062-3
0.250
MAR-TRE-d0525fbf-79
0.250
MAR-TRE-04c86cea-73
0.250
MAK-UNK-194150d3-12
0.250
MAR-SOS-c7881798-5
0.248
MAR-SOS-82e3a7c7-8
0.248
MAR-TRE-b77b7921-3
0.248
MAR-TRE-04c86cea-1
0.248
MAR-TRE-4b834d9a-3
0.247
DAR-DIA-03336633-13
0.247
RAL-THA-2d450e86-1
0.247
MAK-UNK-f983951f-22
0.247
MAR-TRE-3159af1a-88
0.245
MAR-TRE-04c86cea-4
0.245
AAR-POS-8a4e0f60-6
0.245
MAR-TRE-67513f76-11
0.245
MAR-TRE-74c6519b-39
0.245
TRY-UNI-714a760b-5
0.244
NEL-UNI-1464a899-4
0.243
MAK-UNK-942dcb71-17
0.243
MAK-UNK-f983951f-13
0.243
MAR-TRE-74c6519b-45
0.243
MAR-TRE-74c6519b-1
0.243
MAR-TRE-04c86cea-3
0.243
DAR-DIA-03336633-7
0.242
MAR-SOS-82e3a7c7-6
0.242
MAR-SOS-c7881798-6
0.242
MAR-TRE-f6f5f473-43
0.242
MAR-TRE-b77b7921-11
0.242
SAD-SAT-29425be4-29
0.242
PAT-GYR-de8eec61-1
0.242
MAT-POS-b5746674-61
0.241
MAR-TRE-6a44bbf2-9
0.241
MAR-TRE-74c6519b-2
0.240