الاسم: 1,1-Dimethylethyl 7-cyano-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCCc2cc(C#N)ccc2C1Molecular Processing
Molecular formula
C16H20N2O2
Molecular weight
272.35
Exact mass
272.1525
XLogP
3.24
TPSA
53.33
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
76.12
Supplementary Information
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