Molecular Properties | |
SMILES: | O=[N+]([O-])c1cc(Br)cc2cc(-c3nc4cc(Br)ccc4o3)c(Cl)nc12 |
MW: | 483.503 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 82.06 |
cLogP: | 6.1296 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
2-halo pyridine
nitro group
Oxygen-nitrogen single bond
α-Halogen substituted N-heterocycles
Activated haloaromatics
Filter9_metal
Filter94_2_halo_pyridine
aromatic NO2
2-chloropyridine
aryl bromide
Dye 16 (1)
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
AAR-POS-d2a4d1df-30
DRV-DNY-5c7d8ee8-9
0.789
DRV-DNY-5c7d8ee8-10
0.775
DRV-DNY-5c7d8ee8-12
0.753
DRV-DNY-5c7d8ee8-8
0.543
DRV-DNY-5c7d8ee8-7
0.520
DRV-DNY-5c7d8ee8-4
0.481
DRV-DNY-5c7d8ee8-6
0.475
DRV-DNY-5c7d8ee8-5
0.463
DRV-DNY-5c7d8ee8-2
0.333
DRV-DNY-5c7d8ee8-3
0.291
DRA-CSI-0a78d9ba-7
0.205
DRA-CSI-7ec17797-16
0.191
VID-DNY-1d288c6c-4
0.187
DRA-CSI-0a78d9ba-3
0.184
DRA-CSI-3ab97369-5
0.183
VID-DNY-1d288c6c-13
0.181
LON-WEI-4d77710c-67
0.178
LON-WEI-5e7d1b3e-67
0.178
VID-DNY-1d288c6c-8
0.176
VID-DNY-1d288c6c-7
0.175
DRV-DNY-3e405af9-8
0.174
LYN-UNI-7bb260d6-7
0.174
DRA-CSI-7ec17797-13
0.173
LYN-UNI-c2dd631d-11
0.167
LYN-UNI-c2dd631d-14
0.167
LYN-UNI-b265e4fd-9
0.165
DRA-CSI-3ab97369-3
0.164
VID-DNY-1d288c6c-12
0.164
LON-WEI-5e7d1b3e-65
0.162
LON-WEI-4d77710c-65
0.162
GAB-REV-70cc3ca5-22
0.161
DRA-CSI-0a78d9ba-2
0.160
LYN-UNI-0d9431a4-1
0.160
CHR-SOS-7098f804-3
0.158
JOH-UNI-f0df842c-4
0.157
KRI-MAR-d2e3ef86-28
0.157
LYN-UNI-aac70ff6-1
0.156
MAR-TRE-14ce9fd6-24
0.155
MAR-TRE-a3327163-13
0.155
DRV-DNY-3e405af9-7
0.155
PAU-UNI-d269d79c-3
0.155
PAU-UNI-589039f7-3
0.155
DRA-CSI-0a78d9ba-15
0.155
OLE-CAR-5b17bec5-7
0.155
AHN-SAT-de2502ba-3
0.155
VID-DNY-1d288c6c-6
0.155
KRI-MAR-d2e3ef86-8
0.154
VID-DNY-1d288c6c-9
0.153
KEI-TRE-d5e2018a-14
0.152
MAT-POS-ea426761-4
0.152
DRA-CSI-0a78d9ba-10
0.152
MAR-TRE-e82e6c98-38
0.151
HAO-BIO-c9aafde3-10
0.150
CHR-SOS-7098f804-1
0.150
DRP-THE-fc26dc53-1
0.150
LOR-NOR-30067bb9-18
0.150
MAR-TRE-0fda4e82-15
0.149
MAR-TRE-3e4e6814-95
0.148
MAK-UNK-c74072e5-10
0.148
WIL-UNI-d4749f31-42
0.148
MAR-TRE-14ce9fd6-31
0.147
DRA-CSI-0a78d9ba-11
0.147
WIL-UNI-2a57d06c-45
0.147
MAR-TRE-c8530538-81
0.147
DRA-CSI-0a78d9ba-5
0.146
DRA-CSI-0a78d9ba-6
0.146
NAU-LAT-1b663c1e-1
0.145
NAU-LAT-1b663c1e-3
0.145
DRA-CSI-0a78d9ba-9
0.145
MAR-TRE-8190bb11-20
0.144
BER-UNK-c44c38d5-3
0.143
VID-DNY-1d288c6c-3
0.143
MAR-TRE-8a25d817-98
0.143
DRA-CSI-3ab97369-6
0.143
RED-RED-10c9212c-30
0.143
MAT-POS-e10a589d-1
0.142
AAR-POS-dddeddbf-2
0.141
MAR-TRE-0fda4e82-7
0.141
DRA-CSI-0a78d9ba-8
0.141
DRA-CSI-7ec17797-15
0.140
DRA-CSI-3ab97369-4
0.140
MAR-TRE-b77b7921-39
0.139
NAU-LAT-f723e322-6
0.139
MAR-UCB-195bc32d-56
0.139
MAK-UNK-3f402c2b-6
0.139
MAR-TRE-4b834d9a-29
0.137
MAR-TRE-04c86cea-13
0.137
MAR-TRE-a9136c7b-16
0.137
DRA-CSI-7ec17797-17
0.136
MAR-TRE-f6f5f473-95
0.136
RED-RED-10c9212c-21
0.136
DRA-CSI-3ab97369-7
0.135
VID-DNY-1d288c6c-2
0.135
DRV-DNY-3e405af9-2
0.134
MAK-UNK-7c9d1431-6
0.134
VID-DNY-1d288c6c-5
0.134
MAR-TRE-d0525fbf-93
0.134
MAK-UNK-0d6072ac-31
0.133
DRV-DNY-ae159ed1-8
0.133
MAT-POS-e10a589d-4
0.133