Molecular Properties | |
SMILES: | C#CCN1CCN(C(=O)CCl)CC1 |
MW: | 200.669 |
Fraction sp3: | 0.67 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 23.55 |
cLogP: | 0.00259999999999994 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine SCR: | Z2417560794 |
Enamine REAL: | Z1562141114 |
Enamine Extended REAL: | m_270062____16411428____8147258 |
Mcule: | MCULE-5213141587 |
MolPort: | MolPort-014-513-104 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | 2020-05-07 |
triple bond
triple_bond
LON-WEI-8f408cad-7
SAD-SAT-1b030f84-9
0.545
TOB-UNK-c2aba166-2
0.524
AAR-POS-0daf6b7e-21
0.462
MAK-UNK-4b073b5c-16
0.459
DRR-IMP-38dce17f-3
0.458
MAK-UNK-7c9d1431-24
0.458
MAK-UNK-704ed37c-11
0.450
MAR-TRE-6a44bbf2-56
0.449
MAK-UNK-6ca90168-18
0.442
MAK-UNK-6ca90168-17
0.442
SAD-SAT-d8079f6f-5
0.436
SAD-SAT-d8079f6f-3
0.436
MAK-UNK-704ed37c-10
0.432
SAD-SAT-5b1897b2-9
0.432
SAD-SAT-d8079f6f-6
0.425
DRR-IMP-38dce17f-1
0.423
MAK-UNK-7c9d1431-29
0.420
MAK-UNK-987948f6-5
0.419
MAK-UNK-6ca90168-16
0.419
MAK-UNK-95198336-3
0.417
MAK-UNK-6ca90168-14
0.415
DRR-IMP-38dce17f-7
0.415
MAK-UNK-704ed37c-13
0.413
DRR-IMP-38dce17f-6
0.412
PAU-UNI-8cdd41c7-1
0.412
MAK-UNK-704ed37c-12
0.409
MAK-UNK-6c8f5f75-1
0.409
MAK-UNK-750cfbcc-1
0.409
JOH-UNI-27ac80fd-4
0.407
SAD-SAT-1b030f84-8
0.400
MAK-UNK-987948f6-4
0.400
SAD-SAT-581007d4-7
0.400
MAT-POS-2db6411e-2
0.400
LON-WEI-8f408cad-7
0.396
MAK-UNK-212f693e-8
0.396
AAR-POS-0daf6b7e-13
0.396
MAK-UNK-15efde89-1
0.393
MAK-UNK-7c9d1431-28
0.389
MAK-UNK-e4a48a85-14
0.389
DRR-IMP-38dce17f-5
0.389
LON-WEI-8f408cad-5
0.389
AAR-POS-0daf6b7e-2
0.389
AAR-POS-0daf6b7e-17
0.389
SAD-SAT-bc31ec01-1
0.389
MAR-TRE-6a44bbf2-12
0.386
YOI-UNK-15f562e8-4
0.383
VIK-SYN-bf9c9ac8-2
0.383
VIK-SYN-bf9c9ac8-1
0.383
AAR-POS-0daf6b7e-12
0.382
DRR-IMP-38dce17f-4
0.382
MAR-LAB-ca4662a6-2
0.382
JOH-UNI-27ac80fd-23
0.382
MED-COV-4280ac29-15
0.382
AAR-POS-d2a4d1df-35
0.382
HYO-UNK-49a60884-1
0.382
JOH-UNI-0e1753c1-3
0.382
MAK-UNK-f983951f-21
0.381
SAD-SAT-bc31ec01-2
0.381
AHN-SAT-de2502ba-15
0.379
AAR-POS-0daf6b7e-16
0.377
SAD-SAT-581007d4-1
0.375
MAK-UNK-7c9d1431-20
0.375
AHN-SAT-de2502ba-14
0.375
SAD-SAT-581007d4-2
0.375
JIA-UNI-93b03cae-1
0.375
WAR-XCH-b0339bbe-18
0.375
SAD-SAT-65574d3f-1
0.375
VIK-SYN-9a3d118a-1
0.375
AAR-POS-d2a4d1df-24
0.375
JOK-SYG-18591e8f-1
0.373
MAR-TRE-6a44bbf2-47
0.373
SAD-SAT-d8079f6f-4
0.372
ASH-SAT-43770c7d-5
0.368
SAD-SAT-5b1897b2-2
0.368
DRR-IMP-38dce17f-2
0.368
NEH-REV-107bcf72-5
0.368
MAK-UNK-52a1ef4b-1
0.367
TAT-ENA-80bfd3e5-30
0.367
MAT-POS-ee51dedd-1
0.367
DAV-CRI-d1e0885a-1
0.367
TOB-UNK-c2aba166-3
0.362
MAK-UNK-176ca439-1
0.361
MAK-UNK-52a1ef4b-3
0.358
SWA-SYN-6423ea73-5
0.358
SWA-SYN-d2e6fa14-5
0.358
MAK-UNK-e4a48a85-13
0.356
SAD-SAT-65574d3f-5
0.354
SAD-SAT-edc8a235-3
0.354
TAM-UNI-d1c3dd9f-16
0.354
JOH-UNI-27ac80fd-25
0.352
STE-KUL-2e0d2e88-1
0.350
MAK-UNK-6ca90168-5
0.350
MAR-TRE-6a44bbf2-27
0.349
MAK-UNK-750cfbcc-2
0.347
VIK-SYN-bf9c9ac8-7
0.346
VIK-SYN-9a3d118a-4
0.346
MAR-TRE-6a44bbf2-87
0.346
MAK-UNK-987948f6-2
0.346
DRR-IMP-dff87f5e-4
0.345
SAD-SAT-5b1897b2-1
0.345