Molecular Properties | |
SMILES: | N#C/C=C/C[C@H](c1cccc(Cl)c1)c1cccc(C#N)c1 |
MW: | 292.769 |
Fraction sp3: | 0.11 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 47.58 |
cLogP: | 4.81346 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
conjugated nitrile group
Acrylonitriles
too many cyano Groups (>1)
AAR-POS-d2a4d1df-1
SEA-TRI-74689dea-1
0.591
DAR-DIA-3e9bbd81-11
0.286
MAR-TRE-9d18ae8c-92
0.284
JOH-IMS-1436231f-5
0.283
JOH-IMS-1436231f-3
0.275
AAR-RCN-78cf61f7-1
0.275
WIL-LEE-1f71e281-7
0.273
PAU-WEI-b9b69149-4
0.272
TRY-UNI-714a760b-22
0.267
MAK-UNK-ec98eaf6-51
0.265
JOK-SYG-a0b0bf84-1
0.263
TRY-UNI-714a760b-21
0.261
NAU-LAT-b0463c38-9
0.258
DAR-DIA-3e9bbd81-7
0.258
MAR-TRE-14ce9fd6-97
0.256
JOH-ILL-b8b12274-2
0.254
PAU-WEI-b9b69149-6
0.250
MAR-TRE-8190bb11-59
0.250
MAK-UNK-ec98eaf6-53
0.248
AAR-POS-0daf6b7e-10
0.247
DAV-CRI-3edb475e-4
0.247
MAR-TRE-14ce9fd6-100
0.244
EDJ-MED-ee07cf00-5
0.243
PAU-WEI-b9b69149-5
0.242
JOH-UNI-ee5ed7c8-6
0.242
JOH-UNI-3fc3434e-6
0.242
AGN-NEW-c7b24fe3-4
0.238
MAK-UNK-ec98eaf6-52
0.238
MED-COV-4280ac29-34
0.238
JOH-UNI-3fc3434e-7
0.237
JOH-UNI-ee5ed7c8-7
0.237
MAR-TRE-1c920f6f-88
0.237
MAT-POS-c20a539d-5
0.237
PET-UNK-6314f867-2
0.237
TRY-UNI-9f475305-10
0.236
AAR-RCN-dbf5c5ee-1
0.235
JAN-GHE-83b26c96-1
0.233
EDG-MED-0da5ad92-5
0.233
DAR-DIA-3e9bbd81-16
0.232
MED-COV-4280ac29-6
0.231
RIT-UNK-fa3975ff-1
0.231
JOH-UNI-ee5ed7c8-2
0.230
JOH-UNI-3fc3434e-2
0.230
AAR-RCN-521d1733-1
0.229
DAV-CRI-3edb475e-5
0.228
MAR-TRE-66ac689e-92
0.227
MAR-TRE-1c920f6f-31
0.226
GIA-UNK-7337c2f3-2
0.226
DAR-DIA-3e9bbd81-12
0.226
MAR-TRE-1c920f6f-34
0.225
MAK-UNK-ec98eaf6-15
0.222
DAV-CRI-25b90884-2
0.222
MAK-UNK-6ca90168-23
0.221
EDJ-MED-ee07cf00-8
0.220
AAR-RCN-28a8122f-1
0.220
SAD-SAT-c989feaa-2
0.219
MIH-UNI-6b9ca91a-5
0.218
DAR-DIA-56cf811e-3
0.218
JOH-UNI-3fc3434e-8
0.217
JOH-UNI-ee5ed7c8-8
0.217
DAR-DIA-3e9bbd81-13
0.217
WIL-LEE-1f71e281-3
0.217
MAT-POS-ee51dedd-1
0.217
DAR-DIA-56cf811e-4
0.216
EDJ-MED-ee07cf00-12
0.216
JAN-GHE-83b26c96-6
0.216
JOH-IMS-1436231f-1
0.215
PET-UNK-6314f867-3
0.215
AAR-RCN-845f9611-1
0.214
JOH-ILL-b8b12274-1
0.214
JAN-GHE-83b26c96-10
0.213
GIA-UNK-c4371e97-3
0.213
DAR-DIA-bd041b9b-32
0.213
MAK-UNK-f203cb68-3
0.213
MAK-UNK-f203cb68-2
0.213
WAR-XCH-72a8c209-1
0.213
PAT-UNK-b2d83456-1
0.212
UNK-UNK-2ede4078-87
0.212
JOH-UNI-c7afdb96-5
0.212
MAK-UNK-c749d764-6
0.212
MAK-UNK-ffc90da7-1
0.212
BRU-CON-67e07230-1
0.211
SAD-SAT-24589cd1-8
0.211
DAV-CRI-25b90884-3
0.211
MAT-POS-cc05818f-1
0.211
RAL-THA-2d450e86-17
0.211
JAG-UCB-1d922829-5
0.211
MED-COV-4280ac29-18
0.209
SAM-UNK-2684b532-7
0.209
MAK-UNK-10dfa458-40
0.209
JIN-POS-6dc588a4-24
0.209
EDJ-MED-cf4b0d25-4
0.208
SEA-TRI-ec70a9dd-1
0.208
JAN-GHE-83b26c96-4
0.207
JAN-GHE-83b26c96-5
0.207
TRY-UNI-2eddb1ff-4
0.207
TRY-UNI-2eddb1ff-5
0.207
MAR-TRE-14ce9fd6-31
0.207
TRY-UNI-714a760b-18
0.207
MAK-UNK-10799360-36
0.207