Molecular Properties | |
SMILES: | O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cccc(Br)c1 |
MW: | 489.82 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 81.92 |
cLogP: | 4.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-002-985-345 |
imine
Oxygen-nitrogen single bond
Singel acyclic N-N bonds
Imines
o-Substituted phenols (1)
p-Substituted phenols
Filter9_metal
aryl bromide
acyl hydrazine
hzone_phenol_A(479)
poly_sub_atomatic
MAR-LAB-ff9967db-18
0.263
AAR-UNI-c25c2f1e-89
0.239
MAR-TRE-1c920f6f-90
0.231
DRV-DNY-ae159ed1-10
0.230
MAR-TRE-4f781e27-74
0.224
MAR-TRE-92684b97-35
0.217
DRR-SHR-2ae5ab8c-6
0.215
MAR-TRE-8190bb11-20
0.213
CHR-SOS-7098f804-8
0.213
CHR-SOS-7098f804-12
0.212
JAG-UCB-ef2c0e8e-2
0.212
DRR-SHR-9a662592-1
0.211
MAR-TRE-fd17a9b8-63
0.211
NAU-LAT-1b663c1e-3
0.211
MAR-TRE-4f781e27-43
0.209
MAR-TRE-4f781e27-71
0.209
DRR-SHR-2ae5ab8c-7
0.207
UNK-CYC-68f84b31-8
0.206
MAR-TRE-4f781e27-45
0.205
GGM-FNM-12cd6902-3
0.202
WIL-UNI-1faa9b10-7
0.202
WIL-UNI-5578df48-13
0.200
LON-WEI-4d77710c-68
0.198
LON-WEI-5e7d1b3e-68
0.198
MAT-POS-ea426761-10
0.198
PET-UNK-c9c1e0d8-1
0.198
NAU-LAT-e1818702-11
0.198
BEN-DND-1e24cf73-1
0.198
AAR-UNI-c25c2f1e-30
0.198
WIL-UNI-a125ac6f-2
0.196
JAN-GHE-83b26c96-12
0.195
JON-UIO-d041ac75-4
0.195
CHR-SOS-7098f804-21
0.193
BEN-DND-7e92b6ca-1
0.191
ROD-LAS-d5538ff9-7
0.191
JOO-IND-6372a4f3-2
0.191
MAR-TRE-8190bb11-77
0.191
MAR-TRE-799db12b-39
0.189
NAU-LAT-1b663c1e-7
0.188
KEI-TRE-d5e2018a-22
0.188
MAR-TRE-2fd8122f-40
0.187
DRR-SHR-2ae5ab8c-1
0.187
CHR-SOS-7098f804-2
0.186
AAR-POS-fca48359-1
0.186
MAK-UNK-1e8f9e3c-3
0.186
UNK-CYC-68f84b31-4
0.186
MAT-POS-b5746674-23
0.185
MAK-UNK-c44f4be0-4
0.185
WIL-UNI-d4749f31-18
0.184
LYN-UNI-7bb260d6-12
0.183
BAR-COM-0f94fc3d-23
0.183
BEN-DND-b89db3f2-4
0.183
JAS-UNI-326cae60-2
0.183
MAR-TRE-aca67d11-8
0.182
NAU-LAT-1b663c1e-6
0.182
MAR-TRE-8190bb11-78
0.182
AAR-UNI-c25c2f1e-6
0.182
BEN-DND-1e24cf73-6
0.182
UNK-CYC-68f84b31-26
0.182
UNK-CYC-68f84b31-54
0.182
UNK-CYC-68f84b31-34
0.182
UNK-CYC-68f84b31-39
0.182
MAR-TRE-67513f76-7
0.180
DRR-SHR-2ae5ab8c-2
0.180
MAR-TRE-66ac689e-28
0.180
MAR-TRE-1c920f6f-44
0.179
MAK-UNK-129dcd6f-9
0.179
UNK-CYC-68f84b31-45
0.178
MAR-TRE-1c920f6f-98
0.178
MAR-TRE-a9136c7b-28
0.178
JON-UIO-d041ac75-1
0.177
AAR-UNI-c25c2f1e-94
0.177
RAL-MED-2de63afb-5
0.177
WIL-UNI-1faa9b10-17
0.177
MAK-UNK-37f1d6fa-6
0.177
MAR-TRE-fd17a9b8-56
0.176
MAR-TRE-92684b97-66
0.176
LON-WEI-adc59df6-5
0.176
JOO-IND-6372a4f3-3
0.176
DAV-IMP-59dd6621-3
0.176
MAR-TRE-8190bb11-58
0.176
EDJ-MED-c8e7a002-3
0.175
AAR-UNI-c25c2f1e-57
0.175
LON-WEI-ff7b210a-6
0.175
EDJ-MED-6af13d92-1
0.175
IAN-BAS-36ca50f1-1
0.174
MAR-TRE-a78003aa-87
0.174
NIM-UNI-534877e5-2
0.174
NAU-LAT-1b663c1e-1
0.173
AMD-UAU-3d234461-2
0.173
MAT-POS-b5746674-22
0.173
VLA-UNK-eaa804fd-3
0.173
JOH-UNI-c7afdb96-4
0.172
MIC-UNK-51049f1a-6
0.172
MAR-TRE-e86a56b5-25
0.172
CHA-MCP-85291e1d-6
0.172
MAR-TRE-6a44bbf2-71
0.172
BEN-DND-02317c5c-13
0.172
WIL-UNI-1faa9b10-44
0.172
BAR-COM-0f94fc3d-36
0.172