이름: (R)-2-(3-bromo-4-cyanophenylamino)-3-cyclohexylpropanamide
SMILES:
N#Cc1ccc(N[C@H](CC2CCCCC2)C(N)=O)cc1BrMolecular Processing
Molecular formula
C16H20BrN3O
Molecular weight
350.26
Exact mass
349.079
XLogP
3.56
TPSA
78.91
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
86.65
Supplementary Information
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