Molecular Properties | |
SMILES: | O=[N+]([O-])c1ccc(-n2nc(-c3ccc4ccccc4c3)cc2-c2ccc(F)cc2)c([N+](=O)[O-])c1 |
MW: | 454.417 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 104.1 |
cLogP: | 6.315 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
nitro group
Oxygen-nitrogen single bond
Nitro compounds
aromatic NO2
Dye 16 (1)
nitro aromatic 2+
Dinitrobenzene_3
Nitro_more_than_one
JOH-UNI-27ac80fd-23
DRV-DNY-3e405af9-7
0.810
DRV-DNY-3e405af9-8
0.800
VID-DNY-1d288c6c-11
0.711
VID-DNY-1d288c6c-10
0.700
DRV-DNY-3e405af9-1
0.692
VID-DNY-1d288c6c-12
0.651
DRV-DNY-3e405af9-6
0.651
DRV-DNY-3e405af9-5
0.647
VID-DNY-1d288c6c-5
0.639
VID-DNY-1d288c6c-9
0.631
DRV-DNY-3e405af9-4
0.609
DRV-DNY-3e405af9-3
0.609
VID-DNY-1d288c6c-1
0.561
VID-DNY-1d288c6c-3
0.554
VID-DNY-1d288c6c-2
0.552
VID-DNY-1d288c6c-7
0.548
VID-DNY-1d288c6c-6
0.545
VID-DNY-1d288c6c-13
0.529
VID-DNY-1d288c6c-8
0.511
VID-DNY-1d288c6c-4
0.511
DRV-DNY-3e405af9-9
0.510
BRU-UNI-418e22dc-1
0.265
BRU-UNI-248b30bc-47
0.248
UNK-UNK-2ede4078-78
0.239
TAT-ENA-80bfd3e5-5
0.231
NIM-UNI-13494739-7
0.223
TAT-ENA-80bfd3e5-17
0.223
DRR-IMP-db50bf6e-2
0.212
UNK-CYC-68f84b31-84
0.211
MAR-TRE-423310b6-52
0.209
VLA-UNK-5d8210f0-3
0.206
LOR-NOR-c954e7ad-6
0.206
TER-UNK-b9d4d16f-5
0.205
MAR-TRE-3e4e6814-66
0.205
MAK-UNK-7c9d1431-3
0.202
DRR-IMP-dff87f5e-2
0.202
BRU-UNI-418e22dc-3
0.197
KEI-TRE-d5e2018a-62
0.195
LOR-NOR-c954e7ad-5
0.194
AMI-CSI-2ea5bed6-8
0.192
DAV-UNK-d94803a2-1
0.190
DAR-DIA-d6e5861b-3
0.190
RED-RED-10c9212c-6
0.190
KOV-VNK-5e1a909f-56
0.189
KEI-TRE-d5e2018a-73
0.188
ALV-UNI-7ff1a6f9-32
0.185
ALV-UNI-7ff1a6f9-17
0.185
KEI-TRE-d5e2018a-60
0.184
ALV-UNI-7ff1a6f9-46
0.183
MAR-TRE-e86a56b5-25
0.183
GER-UNI-05c7e912-1
0.183
MAK-UNK-10572812-10
0.182
ALV-UNI-7ff1a6f9-28
0.182
PET-UNK-7b413b46-3
0.182
PET-UNK-7b413b46-7
0.182
MAR-TRE-b77b7921-7
0.181
DRV-DNY-5c7d8ee8-12
0.181
VLA-UNK-8e615992-3
0.180
ALV-UNI-7ff1a6f9-24
0.180
MAT-POS-e10a589d-3
0.179
MAR-TRE-9d18ae8c-28
0.179
LON-WEI-ff7b210a-2
0.179
OLE-CAR-5b17bec5-6
0.179
DEM-REL-172c3d60-7
0.178
VLA-UNK-5d8210f0-1
0.178
VLA-UNK-c3e99b7a-6
0.178
ALV-UNI-7ff1a6f9-1
0.178
ALV-UNI-7ff1a6f9-36
0.178
MAR-TRE-92684b97-2
0.177
BRU-UNI-418e22dc-7
0.177
MAT-POS-ea426761-76
0.176
VLA-UNK-f2612802-2
0.175
MAK-UNK-c74072e5-10
0.175
AHN-SAT-de2502ba-3
0.175
JAG-UCB-f37eaa14-1
0.175
ALV-UNI-7ff1a6f9-30
0.174
DAR-DIA-f6ee7aeb-4
0.174
DAR-DIA-d6e5861b-1
0.174
LYN-UNI-b265e4fd-5
0.173
ALP-POS-e0fe77e5-4
0.173
ASH-IND-65ab4b99-5
0.173
STE-DES-31efaedb-1
0.173
DRV-DNY-5c7d8ee8-9
0.172
MAT-POS-a9372f04-1
0.172
VLA-UNK-61877630-9
0.171
VLA-UNK-e334495f-3
0.171
MAR-TRE-9d18ae8c-60
0.171
GIA-UNK-7337c2f3-15
0.171
RAL-THA-2d450e86-26
0.171
ALV-UNI-7ff1a6f9-29
0.171
RED-RED-10c9212c-30
0.171
ALV-UNI-7ff1a6f9-31
0.171
KOV-VNK-5e1a909f-54
0.171
RED-RED-10c9212c-21
0.171
MAK-UNK-10572812-12
0.170
JAG-UCB-f37eaa14-5
0.170
VLA-UNK-61877630-7
0.170
VLA-UNK-e334495f-1
0.170
DAR-DIA-d6e5861b-4
0.170
DAV-IMP-59dd6621-10
0.170