Molecular Properties | |
SMILES: | C=CCC1(C(=O)OC)CCOc2ccc(Cl)cc21 |
MW: | 266.07 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 35.53 |
cLogP: | 3.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-11-02 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
isolated alkene
Ester
EDG-MED-21720aac-5
0.683
EDG-MED-21720aac-6
0.677
EDG-MED-21720aac-8
0.672
EDG-MED-21720aac-11
0.652
EDG-MED-21720aac-9
0.652
EDG-MED-21720aac-7
0.632
EDG-MED-21720aac-10
0.632
EDG-MED-21720aac-12
0.632
EDG-MED-21720aac-1
0.530
EDG-MED-21720aac-3
0.522
EDG-MED-21720aac-2
0.507
RAL-THA-e002e396-11
0.436
EDG-MED-fe7487f8-7
0.432
EDJ-MED-28ec730d-2
0.427
MAT-POS-45b13633-5
0.427
RAL-THA-e002e396-12
0.423
MAT-POS-e6dd326d-8
0.423
MAT-POS-45b13633-2
0.419
MAT-POS-e6dd326d-2
0.419
MAT-POS-e6dd326d-6
0.418
EDG-MED-971238d3-3
0.415
RAL-THA-58fba2bc-3
0.415
EDJ-MED-28ec730d-1
0.414
EDG-MED-971238d3-2
0.413
MAT-POS-9db1e783-2
0.413
EDJ-MED-424a8a89-2
0.412
DAR-DIA-ecdbc7dd-13
0.411
MAT-POS-e6dd326d-3
0.411
MAT-POS-45b13633-3
0.411
MAT-POS-e6dd326d-10
0.410
EDJ-MED-15e90dfc-3
0.410
EDJ-MED-424a8a89-1
0.410
EDG-MED-971238d3-5
0.409
MAT-POS-2bb0cf2b-1
0.409
MAT-POS-45b13633-1
0.409
MAT-POS-e6dd326d-1
0.409
RAL-THA-e002e396-1
0.406
RAL-THA-e002e396-2
0.406
ALP-POS-9c80c481-1
0.406
MAT-POS-e6dd326d-9
0.402
MAT-POS-f9802937-6
0.402
MAT-POS-e6dd326d-4
0.402
MAT-POS-5d65ec79-2
0.402
DAR-DIA-ecdbc7dd-4
0.402
EDJ-MED-f893e2a1-8
0.402
MAT-POS-f9802937-5
0.402
MIC-UNK-4ce148f7-2
0.400
MIC-UNK-4ce148f7-3
0.400
EDG-MED-971238d3-6
0.400
EDG-MED-971238d3-9
0.400
JAG-UCB-706446eb-3
0.400
RAL-THA-58fba2bc-1
0.400
EDG-MED-971238d3-10
0.400
MAT-POS-45b13633-4
0.400
EDJ-MED-8c98ee63-1
0.398
MAT-POS-fc9ede84-1
0.398
EDJ-MED-fcba3f31-5
0.398
MAT-POS-5d65ec79-1
0.398
MAT-POS-f9802937-3
0.398
MAT-POS-f9802937-4
0.398
JAG-UCB-706446eb-4
0.396
RAL-THA-e002e396-5
0.394
MAT-POS-e6dd326d-12
0.394
DAR-DIA-ecdbc7dd-3
0.394
MAT-POS-e6dd326d-7
0.392
DAR-DIA-ecdbc7dd-2
0.392
DAR-DIA-ecdbc7dd-18
0.392
RAL-THA-e002e396-7
0.390
ALP-UNI-76695c4f-10
0.389
KAD-UNI-8a629cb0-31
0.389
MIC-UNK-4ce148f7-1
0.388
EDG-MED-971238d3-7
0.388
EDG-MED-971238d3-8
0.388
RAL-THA-e002e396-6
0.388
MAT-POS-e6dd326d-5
0.386
DAR-DIA-ecdbc7dd-11
0.386
DAR-DIA-ecdbc7dd-5
0.386
RAL-THA-e002e396-13
0.386
EDJ-MED-fcba3f31-4
0.385
MAT-POS-78e1d523-2
0.384
DAR-DIA-6a508060-13
0.382
MAT-POS-e6dd326d-13
0.382
JAG-UCB-706446eb-2
0.382
EDJ-MED-fcba3f31-2
0.381
MAT-POS-e6dd326d-11
0.380
MIC-UNK-deda7a44-3
0.380
MIC-UNK-deda7a44-2
0.380
ALP-POS-477dc5b7-3
0.380
EDJ-MED-00143744-2
0.380
MAR-UCB-fd2e172f-17
0.379
EDJ-MED-4c7486ba-1
0.379
EDJ-MED-4c7486ba-4
0.379
EDG-MED-70ae9412-2
0.379
EDJ-MED-15e90dfc-7
0.379
ALP-POS-5de921e7-6
0.378
EDJ-MED-f893e2a1-10
0.377
MIC-UNK-deda7a44-1
0.376
MIC-UNK-4ce148f7-4
0.376
ADA-UCB-b1b30a00-5
0.376
EDJ-MED-fcba3f31-3
0.374