이름: 2-(2-cyanoethyl)-5-methyl-1,2,4,5-tetrahydro-3H-2-benzazepin-3-one
SMILES:
CC1CC(=O)N(CCC#N)Cc2ccccc21Molecular Processing
Molecular formula
C14H16N2O
Molecular weight
228.29
Exact mass
228.1263
XLogP
2.44
TPSA
44.1
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
65.12
Supplementary Information
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