Molecular Properties | |
SMILES: | O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 |
MW: | 253.257 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 60.21 |
cLogP: | 3.4909 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8032301539 |
MolPort: | MolPort-001-619-923 |
nitro group
Oxygen-nitrogen single bond
Filter44_michael_acceptor2
aromatic NO2
Ketone
Dye 16 (1)
Dye 9
vinyl michael acceptor1
phenylethene
AAR-POS-d2a4d1df-1
DAV-IMP-59dd6621-10
0.492
DAV-IMP-59dd6621-12
0.471
AAR-POS-fca48359-2
0.368
DRV-DNY-ae159ed1-1
0.358
DRV-DNY-ae159ed1-8
0.303
CHR-SOS-7098f804-6
0.281
DRV-DNY-ae159ed1-9
0.268
DAV-IMP-59dd6621-23
0.257
DRV-DNY-ae159ed1-11
0.257
DRR-SHR-2ae5ab8c-8
0.253
AAR-POS-d2a4d1df-28
0.250
DRV-DNY-ae159ed1-7
0.244
AAR-POS-fca48359-1
0.240
DRV-DNY-ae159ed1-15
0.237
DRV-DNY-ae159ed1-2
0.234
DRV-DNY-ae159ed1-3
0.234
DRV-DNY-ae159ed1-5
0.234
DRV-DNY-ae159ed1-13
0.234
DRV-DNY-ae159ed1-4
0.234
DRV-DNY-ae159ed1-6
0.234
DRV-DNY-ae159ed1-16
0.234
MAR-UNK-5c9ee000-1
0.225
DRV-DNY-ae159ed1-10
0.225
DAV-IMP-59dd6621-3
0.225
DRR-SHR-2ae5ab8c-6
0.224
DRV-DNY-ae159ed1-14
0.222
CHR-SOS-7098f804-9
0.220
LON-WEI-1908424e-1
0.218
MAK-UNK-3f402c2b-6
0.218
DRR-SHR-2ae5ab8c-7
0.214
DRR-SHR-2ae5ab8c-10
0.214
CHR-GRO-516f90f3-1
0.212
DRR-SHR-2ae5ab8c-9
0.212
DRV-DNY-ae159ed1-12
0.210
SAD-SAT-1f400d17-5
0.209
MAK-UNK-987948f6-2
0.209
GIA-UNK-5ec6c2b8-1
0.209
JAR-KUA-41bd5a3d-16
0.208
VID-DNY-1d288c6c-1
0.207
ROD-LAS-d5538ff9-9
0.205
VID-DNY-1d288c6c-2
0.205
TER-UNK-b9d4d16f-5
0.205
MIC-FED-19b1f86d-4
0.197
TAT-ENA-80bfd3e5-11
0.195
SAL-INS-1c7a5a55-5
0.194
MAR-TRE-8190bb11-11
0.192
DRR-SHR-2ae5ab8c-3
0.190
DRR-SHR-9a662592-1
0.190
DRV-DNY-ae159ed1-17
0.190
LYN-UNI-7bb260d6-12
0.189
AAR-POS-0daf6b7e-5
0.189
MAR-TRE-e86a56b5-69
0.189
VID-DNY-1d288c6c-6
0.189
VID-DNY-1d288c6c-10
0.189
SAD-SAT-f2e2579e-6
0.189
EMI-TUK-a58865cc-2
0.188
UNK-UNK-2ede4078-12
0.188
DRV-DNY-ae159ed1-18
0.188
TAT-ENA-80bfd3e5-39
0.187
GIA-UNK-595fac82-2
0.187
GIA-UNK-995df016-10
0.187
ZAC-WAB-0847d168-1
0.184
GIA-UNK-eaadd1d4-1
0.184
MAK-UNK-7c9d1431-27
0.184
ERI-WAB-212bafa6-1
0.183
JON-UIO-d041ac75-1
0.183
JON-UIO-d041ac75-2
0.181
ZAC-WAB-b0242612-1
0.181
ERI-WAB-212bafa6-2
0.181
CHR-SOS-7098f804-5
0.181
VLA-UNK-b5cf542b-1
0.180
STE-KUL-2e0d2e88-1
0.179
AHN-SAT-de2502ba-3
0.179
DRA-CSI-3ab97369-14
0.179
DRA-CSI-13f611db-2
0.179
KAT-FAI-78913094-1
0.179
MAK-UNK-c74072e5-10
0.179
GAB-FAC-0d239413-1
0.179
MAT-POS-162a9720-5
0.178
MAR-TRE-92684b97-51
0.177
CHR-SOS-7098f804-2
0.177
MIC-SGC-657978c3-8
0.177
GIA-UNK-d2defdc3-6
0.177
BER-UNK-c44c38d5-3
0.176
MAK-UNK-194150d3-1
0.176
GIA-UNK-d2defdc3-2
0.176
MAK-UNK-3f402c2b-18
0.175
LOR-NOR-c954e7ad-6
0.175
MAR-TRE-e86a56b5-94
0.175
MAK-UNK-10dfa458-8
0.175
JAY-JBL-db550ec5-1
0.175
MAK-UNK-27459e11-13
0.174
AAR-UNI-c25c2f1e-87
0.174
SAD-SAT-65574d3f-1
0.173
AHN-SAT-de2502ba-14
0.173
ERI-WAB-56c49854-1
0.173
LOR-NOR-c954e7ad-5
0.173
WIL-LEE-364b6ea8-16
0.173
MAK-UNK-af83ef51-1
0.173
TAT-ENA-80bfd3e5-2
0.172