الاسم: 8-Amino-1-isopropyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
SMILES:
CC(C)N1C(=O)CCC(C)(C)c2ccc(N)cc21Molecular Processing
Molecular formula
C15H22N2O
Molecular weight
246.35
Exact mass
246.1732
XLogP
3.08
TPSA
46.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
75.74
Supplementary Information
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