C[C@H](NC(=O)C1CC1)c1ccc(Br)cc1
Nom: N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropanecarboxamide
SMILES: C[C@H](NC(=O)C1CC1)c1ccc(Br)cc1

Molecular Processing

Molecular formula
C12H14BrNO
Molecular weight
268.15
Exact mass
267.0259
XLogP
3.04
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
63.42

Supplementary Information

InChIKey: FDUQWUXMCOWUFV-QMMMGPOBSA-N
Synonymes
N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropanecarboxamide(S)-N-(1-(4-Bromophenyl)ethyl)cyclopropanecarboxamideSCHEMBL9966795FDUQWUXMCOWUFV-QMMMGPOBSA-NAKOS019932833A1-65379(S)-cyclopropanecarboxylic acid [1-(4-bromo-phenyl)-ethyl]-amide
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→