Molecule Details
| Molecular Properties | |
| SMILES: | CC#N |
| MW: | 41.03 |
| Fraction sp3: | 0.5 |
| HBA: | 1 |
| HBD: | 0 |
| Rotatable Bonds: | 0 |
| TPSA: | 23.79 |
| cLogP: | 0.53 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✔️ |
| Source | |
| Enamine BB: | EN300-21632 |
| Mcule: | MCULE-8803543318 |
| MolPort: | MolPort-000-871-979 |
LON-WEI-8f408cad-3
MAK-UNK-4b073b5c-9
0.333
ABI-SAT-128a7dc3-3
0.308
MAK-UNK-9b4e5ff2-2
0.286
MAK-UNK-95198336-14
0.263
ABI-SAT-2adc218e-7
0.250
MAK-UNK-9b4e5ff2-1
0.250
ASH-UNK-e28bb067-1
0.235
ABI-SAT-95eab675-5
0.235
ABI-SAT-3cb25904-1
0.235
MAK-UNK-95198336-15
0.235
ABI-SAT-128a7dc3-1
0.222
ABI-SAT-e641dd33-1
0.222
MAK-UNK-95198336-1
0.214
MAK-UNK-95198336-2
0.200
ABI-SAT-27442b71-1
0.200
ABI-SAT-e641dd33-3
0.190
ASH-UNK-e28bb067-7
0.190
ASH-UNK-e28bb067-6
0.190
MAK-UNK-9b4e5ff2-5
0.190
ABI-SAT-95eab675-1
0.190
MAK-UNK-9b4e5ff2-6
0.188
MAK-UNK-9b4e5ff2-4
0.188
ABI-SAT-3cb25904-3
0.188
MAK-UNK-9b4e5ff2-3
0.188
ABI-SAT-3cb25904-4
0.182
MAK-UNK-4b073b5c-6
0.176
MAK-UNK-9b4e5ff2-8
0.176
MAK-UNK-9b4e5ff2-11
0.176
ABI-SAT-3cb25904-6
0.176
MAK-UNK-9b4e5ff2-10
0.176
MAK-UNK-95198336-17
0.174
MAK-UNK-95198336-13
0.174
ABI-SAT-3cb25904-5
0.174
ABI-SAT-aa268ad7-11
0.174
MAK-UNK-ed378e62-2
0.167
AAR-RCN-8752a6eb-1
0.167
MAK-UNK-95198336-16
0.167
MAK-UNK-4b073b5c-24
0.167
MAK-UNK-9b4e5ff2-9
0.167
ABI-SAT-f7794817-3
0.167
ABI-SAT-128a7dc3-2
0.167
ABI-SAT-95eab675-4
0.167
NIC-UNK-a1379f79-1
0.167
ABI-SAT-2adc218e-5
0.167
FUN-UNK-4860b43a-7
0.167
SAD-SAT-edc8a235-9
0.167
MAK-UNK-7732b35b-1
0.160
MAK-UNK-95198336-12
0.160
ABI-SAT-f7794817-1
0.158
MAK-UNK-9b4e5ff2-7
0.158
ASH-UNK-e28bb067-2
0.150
ABI-SAT-128a7dc3-4
0.150
MAK-UNK-ed378e62-10
0.148
MAK-UNK-ed378e62-8
0.148
AAR-RCN-748c104b-1
0.148
MAK-UNK-ed378e62-6
0.148
AAR-RCN-9c8a34f0-1
0.148
MAR-TRE-0fda4e82-50
0.147
MAK-UNK-ed378e62-1
0.143
AAR-POS-f650c5f2-3
0.143
MAK-UNK-be3f299e-7
0.143
ABI-SAT-f7794817-2
0.143
MAR-TRE-6c5ef77a-97
0.138
MAK-UNK-7732b35b-7
0.138
MAK-UNK-7732b35b-5
0.138
MAK-UNK-7732b35b-9
0.138
ABI-SAT-95eab675-6
0.138
MAK-UNK-be3f299e-8
0.136
ABI-SAT-95eab675-3
0.136
ABI-SAT-95eab675-2
0.136
ABI-SAT-2adc218e-8
0.136
MAR-TRE-0fda4e82-79
0.135
MAR-TRE-14ce9fd6-94
0.132
AHN-ATE-25a8153f-1
0.130
ABI-SAT-e641dd33-2
0.130
ABI-SAT-2adc218e-4
0.130
ABI-SAT-128a7dc3-5
0.130
ABI-SAT-f7794817-4
0.130
ABI-SAT-128a7dc3-7
0.129
MAR-TRE-1c920f6f-89
0.129
MAR-TRE-0fda4e82-80
0.128
AAR-RCN-9f0de475-1
0.125
MAK-UNK-ed378e62-9
0.125
MAR-TRE-6c5ef77a-6
0.125
MAR-TRE-6c5ef77a-78
0.125
AAR-POS-f650c5f2-2
0.125
ABI-SAT-128a7dc3-8
0.125
NIC-UNK-a1379f79-3
0.125
ABI-SAT-2adc218e-9
0.125
NIC-UNK-a1379f79-2
0.125
MAK-UNK-987948f6-14
0.125
MAR-TRE-6c5ef77a-52
0.121
MAR-TRE-6c5ef77a-90
0.121
MAR-TRE-6c5ef77a-91
0.121
MAR-TRE-6c5ef77a-98
0.121
MAK-UNK-ed378e62-5
0.121
ABI-SAT-3cb25904-2
0.121
MAR-TRE-6c5ef77a-65
0.121
MAK-UNK-ed378e62-7
0.121
AAR-RCN-934be69e-1
0.120