이름: 5-methyl-1,2,4,5-tetrahydro-3H-2-benzazepin-3-one
SMILES:
CC1CC(=O)NCc2ccccc21Molecular Processing
Molecular formula
C11H13NO
Molecular weight
175.23
Exact mass
175.0997
XLogP
1.81
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
51.32
Supplementary Information
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