Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)[C@H]1C[C@](O)(C#N)C1 |
MW: | 231.1 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 86.01 |
cLogP: | 0.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z3296843619 |
Enamine Extended REAL: | s_22____3391102____14580216 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
cyanohydrin
α-Hydroxy nitriles
Filter21_cyanhydrin
Cyanohydrin
AAR-POS-d2a4d1df-1
MAT-POS-590ac91e-21
0.571
MAT-POS-590ac91e-18
0.557
DAR-DIA-6a508060-12
0.540
MAT-POS-590ac91e-15
0.500
ERI-UCB-5b47150d-6
0.500
MAT-POS-590ac91e-8
0.500
MAT-POS-590ac91e-22
0.492
MAK-UNK-6ca90168-27
0.491
MAT-POS-590ac91e-19
0.484
ASH-SAT-43770c7d-9
0.483
MAK-UNK-6435e6c2-8
0.481
AAR-POS-d2a4d1df-3
0.481
MAT-POS-590ac91e-12
0.470
SAD-SAT-7d5528d9-26
0.468
ERI-UCB-5b47150d-4
0.468
MAT-POS-590ac91e-27
0.464
MAT-POS-590ac91e-28
0.457
MAT-POS-590ac91e-14
0.443
MAT-POS-590ac91e-24
0.441
MAT-POS-590ac91e-4
0.441
DAR-DIA-0cde14eb-69
0.440
CHR-SOS-363cfb78-2
0.437
MAT-POS-590ac91e-3
0.435
DAR-DIA-0cde14eb-9
0.434
MAK-UNK-6ca90168-26
0.433
TRY-UNI-714a760b-11
0.433
ALE-HEI-f28a35b5-7
0.433
SAD-SAT-7d5528d9-7
0.432
TRY-UNI-714a760b-24
0.431
MAT-POS-590ac91e-10
0.420
MAT-POS-590ac91e-6
0.418
MAT-POS-590ac91e-29
0.417
ALE-HEI-f28a35b5-13
0.415
ALE-HEI-f28a35b5-12
0.415
ERI-UCB-5b47150d-1
0.413
MAT-POS-590ac91e-2
0.413
MAT-POS-590ac91e-1
0.413
DAR-DIA-0cde14eb-75
0.412
MAT-POS-590ac91e-9
0.412
MAT-POS-590ac91e-5
0.412
MAT-POS-590ac91e-7
0.412
MAT-POS-590ac91e-25
0.411
MAK-UNK-372b0df5-1
0.410
TRY-UNI-714a760b-4
0.409
ALE-HEI-f28a35b5-1
0.409
NAU-LAT-3f5f3993-2
0.408
CHR-SOS-6c45c019-12
0.408
DAR-DIA-0cde14eb-15
0.407
EDG-MED-0da5ad92-4
0.406
BEN-DND-93268d01-11
0.406
MAT-POS-590ac91e-23
0.406
TRY-UNI-714a760b-10
0.406
ALE-HEI-f28a35b5-6
0.406
TRY-UNI-2eddb1ff-1
0.405
DAR-DIA-0cde14eb-74
0.405
ALE-HEI-f28a35b5-17
0.403
JAN-GHE-83b26c96-11
0.403
SCO-VAN-260d9628-1
0.403
DAR-DIA-0cde14eb-65
0.400
DAR-DIA-0cde14eb-14
0.400
CHR-SOS-6c45c019-9
0.397
DAR-DIA-0cde14eb-5
0.395
TRY-UNI-714a760b-16
0.394
MAT-POS-590ac91e-11
0.394
MAT-POS-590ac91e-13
0.394
ADA-UCB-6c2cb422-2
0.392
BEN-DND-6de5dfa0-4
0.392
BEN-DND-22e6b372-3
0.392
BEN-DND-09b88bf4-4
0.392
TRY-UNI-714a760b-17
0.391
ALE-HEI-f28a35b5-2
0.391
AHN-SAT-202241f6-1
0.391
BEN-DND-6de5dfa0-12
0.390
DAR-DIA-0cde14eb-6
0.390
DAR-DIA-0cde14eb-8
0.390
DAR-DIA-0cde14eb-7
0.390
TRY-UNI-714a760b-22
0.390
EDJ-MED-3c65e9ce-4
0.389
MAR-TRE-4b834d9a-26
0.388
MAT-POS-590ac91e-16
0.388
MAT-POS-5d20d11c-1
0.388
SIM-DEM-4fb93ec7-1
0.388
CHR-SOS-363cfb78-7
0.388
CHR-SOS-6c45c019-6
0.388
CHR-SOS-1f323c23-10
0.387
GAB-REV-70cc3ca5-21
0.386
BEN-DND-93268d01-9
0.386
BEN-DND-09b88bf4-5
0.386
DAR-DIA-0cde14eb-70
0.385
TRY-UNI-1fd04853-2
0.385
CHR-SOS-6c45c019-11
0.385
TRY-UNI-714a760b-5
0.382
DAR-DIA-0cde14eb-24
0.382
TRY-UNI-714a760b-20
0.382
DAR-DIA-0cde14eb-68
0.382
BEN-DND-22e6b372-2
0.382
BEN-DND-93268d01-10
0.380
BEN-DND-6de5dfa0-5
0.378
EDG-MED-0da5ad92-9
0.378
CHR-SOS-6c45c019-3
0.378