Molecular Properties | |
SMILES: | N#CC1(NC(=O)CCl)CCCCC1 |
MW: | 200.07 |
Fraction sp3: | 0.78 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 52.89 |
cLogP: | 1.57 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-08663 |
Enamine SCR: | Z56968784 |
Enamine REAL: | Z56968784 |
Mcule: | MCULE-9263420224 |
MolPort: | MolPort-002-466-104 |
cyanohydrin
N-C-Hal or cyano methyl
LON-WEI-8f408cad-3
MAK-UNK-f983951f-15
0.941
MAK-UNK-f983951f-17
0.824
MAK-UNK-f983951f-8
0.511
MAK-UNK-f983951f-20
0.404
MAR-TRE-6a44bbf2-25
0.368
TAT-ENA-80bfd3e5-7
0.312
MAT-POS-fa06b69f-2
0.312
MAK-UNK-f983951f-1
0.292
WAR-XCH-b0339bbe-7
0.271
SAD-SAT-edc8a235-1
0.271
MAR-TRE-6a44bbf2-72
0.269
MAK-UNK-72659d64-2
0.268
MAR-TRE-6a44bbf2-35
0.262
MAK-UNK-6ca90168-17
0.260
MAK-UNK-72659d64-17
0.255
MAK-UNK-f983951f-25
0.250
SAD-SAT-65574d3f-7
0.250
WAR-XCH-e55cba98-6
0.250
MAK-UNK-95198336-9
0.245
WIL-NOV-649f4ed0-3
0.242
SAD-SAT-6b5a89f0-4
0.241
MAK-UNK-72659d64-10
0.241
WAR-XCH-e55cba98-7
0.241
CHA-KIN-ceadbd93-5
0.239
SAD-SAT-d8079f6f-3
0.239
SAD-SAT-d8079f6f-5
0.239
MAK-UNK-95198336-3
0.238
GIA-UNK-3f36037a-3
0.237
MAK-UNK-f983951f-2
0.236
MAK-UNK-72659d64-3
0.236
MAK-UNK-6ca90168-18
0.235
MAK-UNK-95198336-10
0.235
MAK-UNK-6c8f5f75-1
0.235
PRO-INS-c91ddbbd-1
0.234
SAD-SAT-d8079f6f-6
0.234
MAK-UNK-f983951f-23
0.232
ASH-UNK-e28bb067-9
0.231
MAR-TRE-6a44bbf2-84
0.231
MAK-UNK-6c8f5f75-2
0.228
MAK-UNK-72659d64-9
0.226
MAK-UNK-72659d64-12
0.224
MAR-TRE-c317dd82-53
0.224
SAD-SAT-edc8a235-7
0.222
MAK-UNK-704ed37c-13
0.222
MAK-UNK-4b073b5c-16
0.222
MAR-TRE-6a44bbf2-6
0.222
YOI-UNK-144e4c15-2
0.222
MAK-UNK-72659d64-1
0.220
MAK-UNK-f983951f-24
0.220
MAK-UNK-f983951f-16
0.220
MAK-UNK-6c8f5f75-3
0.218
SAD-SAT-6b5a89f0-5
0.218
SAD-SAT-6b5a89f0-3
0.218
YOI-UNK-144e4c15-1
0.217
GIA-UNK-d2defdc3-8
0.217
MAK-UNK-72659d64-18
0.217
WAR-XCH-72a8c209-1
0.215
KAD-UNI-877d7bed-17
0.215
MAK-UNK-6c8f5f75-5
0.214
MAK-UNK-6ca90168-29
0.213
YOI-UNK-4c10088f-2
0.213
MAT-POS-162a9720-9
0.213
CHR-SOS-6c45c019-3
0.212
WAR-XCH-79d12f6e-8
0.211
SAD-SAT-1b030f84-9
0.209
WAR-XCH-79d12f6e-7
0.209
MAK-UNK-10799360-1
0.208
WAR-XCH-79d12f6e-5
0.208
MAK-UNK-704ed37c-10
0.208
YOI-UNK-4c10088f-1
0.207
MAK-UNK-6ca90168-14
0.206
DRR-IMP-38dce17f-7
0.206
MAK-UNK-72659d64-4
0.206
MAR-TRE-6a44bbf2-40
0.205
MAK-UNK-5d2caa6f-12
0.205
WAR-XCH-e55cba98-11
0.205
WIL-NOV-649f4ed0-1
0.205
MAK-UNK-95198336-4
0.205
MAK-UNK-95198336-6
0.205
MAK-UNK-95198336-7
0.205
SAD-SAT-edc8a235-5
0.204
SAD-SAT-bc31ec01-2
0.204
SAD-SAT-6b5a89f0-1
0.204
TOB-UNK-c2aba166-1
0.204
MAT-POS-590ac91e-15
0.203
MAK-UNK-95198336-5
0.200
MAK-UNK-4b073b5c-19
0.200
SAD-SAT-65574d3f-5
0.200
AHN-SAT-de2502ba-17
0.200
AHN-SAT-de2502ba-18
0.200
MAK-UNK-4b073b5c-17
0.200
PET-SGC-1fc12be1-1
0.200
WAR-XCH-b0339bbe-8
0.197
MAR-TRE-92684b97-95
0.197
WAR-XCH-79d12f6e-9
0.197
MAK-UNK-72659d64-11
0.197
VIK-SYN-9a3d118a-1
0.196
MAK-UNK-6c8f5f75-4
0.196
MAK-UNK-4b073b5c-18
0.196
SAD-SAT-6b5a89f0-8
0.196