Molecular Properties | |
SMILES: | O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 |
MW: | 311.124 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 72.24 |
cLogP: | 4.1539 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7195431626 |
Mcule Ultimate: | BLKPJGYOCAITEI-UHFFFAOYSA-N |
MolPort: | MolPort-019-075-082 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-05-20 |
nitro group
Oxygen-nitrogen single bond
Activated haloaromatics
aromatic NO2
Dye 16 (1)
Dye 29
DRP-THE-fc26dc53-1
0.522
CHR-SOS-7098f804-1
0.522
CHR-SOS-7098f804-21
0.470
CHR-SOS-7098f804-8
0.459
CHR-SOS-7098f804-12
0.418
ALP-POS-8df010a9-1
0.378
CHR-SOS-7098f804-6
0.328
CHR-SOS-7098f804-3
0.311
NAU-LAT-e1818702-11
0.305
AAR-POS-fca48359-1
0.299
MED-COV-4280ac29-14
0.292
JOH-UNI-c7afdb96-4
0.282
NIM-UNI-6eebfcd4-2
0.281
KEI-TRE-d5e2018a-90
0.280
MAK-UNK-6ca90168-24
0.278
CHR-SOS-7098f804-5
0.278
GAB-FAC-0d239413-1
0.277
MAK-UNK-6ca90168-15
0.274
DAV-IMP-59dd6621-10
0.267
AAR-UNI-c25c2f1e-57
0.266
MAR-TRE-3159af1a-25
0.265
EDG-MED-0da5ad92-3
0.259
JOH-UNI-c7afdb96-5
0.259
SAD-SAT-1b030f84-3
0.259
SAD-SAT-1b030f84-6
0.256
PET-UNK-8df914d1-4
0.253
MAK-UNK-6ca90168-23
0.253
WIL-UNI-d4749f31-23
0.253
NIM-UNI-6eebfcd4-1
0.252
CHR-SOS-7098f804-4
0.250
MAK-UNK-129dcd6f-9
0.250
TRY-UNI-714a760b-6
0.247
NAU-LAT-e1818702-10
0.247
JAN-GHE-5a013bed-7
0.247
MAK-UNK-10dfa458-24
0.244
PET-UNK-6314f867-3
0.244
EDG-MED-0da5ad92-19
0.244
UNK-CYC-68f84b31-29
0.243
MAK-UNK-7c9d1431-4
0.241
TAT-ENA-80bfd3e5-25
0.241
MAK-UNK-f203cb68-18
0.241
JAN-GHE-5a013bed-10
0.241
SAD-SAT-c989feaa-10
0.239
BAR-COM-0f94fc3d-25
0.239
MAR-TRE-a9136c7b-28
0.238
SAM-UNK-2684b532-13
0.237
ALP-POS-95b75b4d-8
0.237
BEN-DND-61647d40-20
0.237
CAR-INS-33b3c115-2
0.237
UNK-CYC-68f84b31-39
0.237
MAK-UNK-f203cb68-16
0.236
GIA-UNK-b9c616ea-4
0.235
ALP-POS-f13221e1-4
0.235
UNK-CYC-68f84b31-44
0.235
DAR-DIA-bd041b9b-29
0.235
TRY-UNI-714a760b-12
0.235
JAG-UCB-cedd89ab-8
0.235
PET-UNK-158bee2a-2
0.234
JAN-GHE-5a013bed-6
0.234
DRV-DNY-ae159ed1-9
0.233
AAR-POS-0daf6b7e-10
0.233
DAV-CRI-3edb475e-4
0.233
EDG-MED-0da5ad92-11
0.233
JAN-GHE-83b26c96-20
0.233
PET-UNK-8df914d1-3
0.232
MAR-TRE-04c86cea-65
0.232
SAD-SAT-7d5528d9-7
0.232
BEN-DND-1e24cf73-5
0.231
RYA-UNI-9b5114df-1
0.231
JAG-UCB-1d922829-4
0.230
MIC-UNK-50cce87d-2
0.230
ROD-LAS-d5538ff9-9
0.230
EDJ-MED-6ab52e52-1
0.230
JIN-POS-6dc588a4-9
0.230
AAR-UNI-c25c2f1e-89
0.229
DAR-DIA-23aa0b97-13
0.228
EDJ-MED-c8e7a002-13
0.227
EMI-TUK-a58865cc-2
0.227
SAM-UNK-2684b532-7
0.226
EDG-MED-0da5ad92-17
0.226
JAN-GHE-83b26c96-22
0.226
EDG-MED-0da5ad92-10
0.226
AGN-NEW-c7b24fe3-4
0.226
UNK-CYC-68f84b31-15
0.226
MAK-UNK-1e8f9e3c-1
0.226
MAK-UNK-9159f8ed-6
0.226
MIC-UNK-66895286-2
0.225
MAT-POS-199e2e7c-1
0.225
EDJ-MED-c5ca5386-1
0.225
JIN-POS-6dc588a4-24
0.225
SAM-UNK-2684b532-2
0.225
MIC-UNK-50cce87d-1
0.225
RUB-POS-1325a9ea-2
0.225
PET-UNK-b1ef24dc-3
0.225
EDJ-MED-076d6e64-1
0.225
JAN-GHE-83b26c96-5
0.224
JAN-GHE-83b26c96-4
0.224
TRY-UNI-2eddb1ff-4
0.224
TRY-UNI-2eddb1ff-5
0.224
TRY-UNI-714a760b-18
0.224