Molecular Properties | |
SMILES: | O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 |
MW: | 242.234 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 72.24 |
cLogP: | 2.8471 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_22____1154820____58911 |
Mcule: | MCULE-7650161387 |
Mcule Ultimate: | GMGQGZYFQSCZCW-UHFFFAOYSA-N |
MolPort: | MolPort-000-157-722 |
nitro group
Oxygen-nitrogen single bond
aromatic NO2
Dye 16 (1)
Dye 29
AAR-POS-fca48359-1
0.780
CHR-SOS-7098f804-9
0.581
CHR-SOS-7098f804-5
0.528
CHR-SOS-7098f804-3
0.433
AAR-UNI-c25c2f1e-82
0.353
CHR-SOS-7098f804-8
0.345
AAR-UNI-c25c2f1e-2
0.333
DAV-IMP-59dd6621-10
0.333
RUT-UNI-630c5802-2
0.329
CHR-SOS-7098f804-2
0.328
KEI-TRE-d5e2018a-90
0.328
RUT-UNI-630c5802-3
0.322
RUT-UNI-630c5802-6
0.322
RUT-UNI-630c5802-4
0.322
RUT-UNI-630c5802-10
0.318
ROD-LAS-d5538ff9-9
0.315
MAR-TRE-6a44bbf2-71
0.315
RUT-UNI-630c5802-7
0.315
RUT-UNI-630c5802-8
0.315
RUT-UNI-630c5802-12
0.311
AAR-UNI-c25c2f1e-9
0.311
RUT-UNI-630c5802-11
0.308
MAR-TRE-9d18ae8c-18
0.307
RUT-UNI-630c5802-14
0.300
MAR-TRE-9d18ae8c-9
0.299
NAU-LAT-64f4b287-8
0.299
JOH-SUS-bab12148-1
0.298
DRA-CSI-13f611db-2
0.294
DRA-CSI-3ab97369-14
0.294
RUT-UNI-630c5802-15
0.293
RUT-UNI-630c5802-16
0.293
RUT-UNI-630c5802-1
0.287
ZAC-WAB-b0242612-1
0.286
RUT-UNI-630c5802-5
0.284
NIC-UNI-80385019-1
0.282
DAV-IMP-59dd6621-11
0.281
RUT-UNI-630c5802-13
0.281
CLI-UNI-032f7715-2
0.281
RUT-UNI-630c5802-9
0.278
AAR-UNI-c25c2f1e-65
0.278
EMI-TUK-a58865cc-2
0.276
MAR-TRE-1c920f6f-98
0.274
AAR-POS-0daf6b7e-5
0.273
DRV-DNY-ae159ed1-8
0.267
GAB-FAC-0d239413-1
0.267
CHR-SOS-7098f804-7
0.266
SAD-SAT-6b5a89f0-8
0.264
TER-UNK-b9d4d16f-5
0.259
COM-UCB-8c7d23dc-2
0.259
GIA-UNK-d2defdc3-2
0.258
MAR-TRE-4f781e27-12
0.257
CAS-DEP-167c18e3-2
0.257
ALP-POS-8df010a9-1
0.256
MAR-TRE-e86a56b5-69
0.254
AAR-POS-fca48359-2
0.254
MAR-TRE-1c920f6f-90
0.253
MAR-TRE-799db12b-93
0.253
KEI-TRE-d5e2018a-12
0.253
MAR-TRE-92684b97-25
0.250
JOH-UNI-c7afdb96-16
0.250
MAK-UNK-3f402c2b-18
0.250
ANT-DIA-b7f58f21-4
0.250
CHR-SOS-7098f804-1
0.247
DRP-THE-fc26dc53-1
0.247
BEN-DND-031a96cc-8
0.246
MAX-MCD-16e3709a-1
0.246
DRA-CSI-3ab97369-8
0.244
MAT-POS-162a9720-5
0.242
MAR-TRE-0fda4e82-84
0.241
MAR-TRE-66ac689e-51
0.240
AAR-UNI-c25c2f1e-60
0.240
AAR-UNI-c25c2f1e-97
0.240
STE-KUL-2e0d2e88-1
0.239
KEI-TRE-d5e2018a-35
0.239
AAR-UNI-c25c2f1e-87
0.238
MAR-TRE-14ce9fd6-61
0.238
MAR-TRE-8190bb11-65
0.236
AAR-UNI-c25c2f1e-79
0.236
JOH-UNI-c7afdb96-4
0.236
MAR-TRE-9d18ae8c-15
0.236
MAR-TRE-66ac689e-88
0.236
JOH-UNI-c7afdb96-3
0.235
JAG-SYN-9c2cd0bd-9
0.235
MAR-LAB-ff9967db-5
0.235
DRV-DNY-ae159ed1-9
0.235
GIA-UNK-3f36037a-7
0.233
LOR-NOR-c954e7ad-6
0.233
MAR-TRE-e86a56b5-94
0.233
AAR-UNI-c25c2f1e-30
0.233
NIC-UNI-0cb6411b-1
0.233
MAR-TRE-4f781e27-49
0.232
LON-WEI-120e5cf5-15
0.232
MAR-TRE-6a44bbf2-86
0.232
WAR-XCH-79d12f6e-10
0.231
JOH-UNI-c7afdb96-17
0.231
WAR-XCH-b0339bbe-20
0.231
LON-WEI-1908424e-12
0.231
MAR-TRE-fd17a9b8-56
0.230
SWA-SYN-40d44a84-3
0.229
MAK-UNK-7c9d1431-6
0.229