Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CCCBr |
| MW: | 257.131 |
| Fraction sp3: | 0.4 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 41.99 |
| cLogP: | 2.50362 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2020-03-31 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
Filter9_metal
Filter75_alkyl_Br_I
Alkyl Halide
PET-SGC-6e7c5dc0-1
0.679
ALE-HEI-f28a35b5-10
0.643
MAK-UNK-6ca90168-26
0.600
MAT-POS-590ac91e-10
0.586
ASH-SAT-43770c7d-9
0.566
MAT-POS-590ac91e-17
0.550
JAN-GHE-83b26c96-11
0.544
TRY-UNI-714a760b-5
0.544
AAR-POS-d2a4d1df-3
0.542
MAK-UNK-6435e6c2-8
0.542
BEN-DND-93268d01-5
0.541
MAT-POS-590ac91e-11
0.536
ALE-HEI-f28a35b5-13
0.536
MAT-POS-590ac91e-6
0.534
BEN-DND-93268d01-10
0.533
BEN-DND-93268d01-4
0.532
MAK-UNK-372b0df5-3
0.532
MAT-POS-590ac91e-7
0.525
MAT-POS-590ac91e-9
0.525
MAK-UNK-6ca90168-27
0.519
BEN-DND-93268d01-9
0.517
BEN-DND-09b88bf4-5
0.517
BEN-DND-93268d01-11
0.517
MAT-POS-590ac91e-23
0.517
MIH-UNI-6b9ca91a-1
0.517
ALE-HEI-f28a35b5-3
0.517
ALE-HEI-f28a35b5-6
0.517
EDG-MED-0da5ad92-4
0.517
TRY-UNI-714a760b-10
0.517
GAB-REV-70cc3ca5-21
0.517
BEN-DND-93268d01-7
0.516
GAB-REV-70cc3ca5-3
0.515
MAT-POS-590ac91e-24
0.508
EDJ-MED-c9f55a56-1
0.508
JAN-GHE-83b26c96-12
0.508
ALP-POS-f13221e1-4
0.508
BEN-DND-93268d01-6
0.500
MAT-POS-590ac91e-15
0.500
JOH-UNI-abfda500-6
0.500
EDJ-MED-3c65e9ce-1
0.500
BEN-DND-93268d01-8
0.500
ANN-UNI-98d2bf15-1
0.500
TRY-UNI-2eddb1ff-2
0.500
EDG-MED-0da5ad92-8
0.500
NAT-WAB-78d8bb1c-1
0.493
MAK-UNK-372b0df5-2
0.493
NIR-THE-b7e8e081-1
0.492
BEN-DND-93268d01-13
0.492
JAN-GHE-83b26c96-13
0.492
EDJ-MED-e58735b6-2
0.492
TRY-UNI-714a760b-6
0.492
EDJ-MED-3c65e9ce-4
0.492
ALP-POS-95b75b4d-2
0.492
GAB-REV-70cc3ca5-20
0.492
PET-SGC-2e937068-1
0.485
BEN-DND-6de5dfa0-7
0.485
BEN-DND-09b88bf4-6
0.485
ALP-POS-95b75b4d-1
0.484
BEN-DND-22e6b372-4
0.484
PET-SGC-83d43576-1
0.479
DAR-DIA-0cde14eb-2
0.478
DAR-DIA-0cde14eb-63
0.478
EDG-MED-0da5ad92-9
0.477
BEN-DND-6de5dfa0-3
0.477
BEN-DND-6de5dfa0-5
0.477
BEN-DND-09b88bf4-3
0.477
NAU-LAT-3f5f3993-5
0.477
MAT-POS-590ac91e-5
0.475
BEN-DND-09b88bf4-8
0.471
MAT-POS-590ac91e-25
0.470
BEN-DND-6de5dfa0-1
0.470
EDJ-MED-e58735b6-1
0.470
BEN-DND-03406596-7
0.470
BEN-DND-09b88bf4-2
0.470
BEN-DND-22e6b372-3
0.470
BEN-DND-09b88bf4-4
0.470
BEN-DND-6de5dfa0-4
0.470
ERI-UCB-5b47150d-4
0.466
ALP-POS-95b75b4d-4
0.464
DAR-DIA-0cde14eb-61
0.464
DAR-DIA-0cde14eb-64
0.464
DAR-DIA-0cde14eb-1
0.464
JAN-GHE-83b26c96-14
0.463
TRY-UNI-2eddb1ff-1
0.463
ALP-POS-95b75b4d-3
0.463
ANN-UNI-98d2bf15-2
0.463
DAR-DIA-0cde14eb-76
0.463
NIR-THE-b7e8e081-2
0.463
BEN-DND-6de5dfa0-16
0.463
DAR-DIA-0cde14eb-62
0.457
GAB-REV-70cc3ca5-9
0.457
MAT-POS-590ac91e-1
0.456
ERI-UCB-5b47150d-1
0.456
MAT-POS-590ac91e-2
0.456
ALE-HEI-f28a35b5-14
0.456
BEN-DND-6de5dfa0-14
0.456
BEN-DND-22e6b372-2
0.456
TRY-UNI-714a760b-20
0.456
GAB-REV-70cc3ca5-13
0.455
MAT-POS-590ac91e-8
0.453