الاسم: 5,5-Dimethyl-8-nitro-2,3,4,5-tetrahydro-1H-benzo[b]azepine
SMILES:
CC1(C)CCCNc2cc([N+](=O)[O-])ccc21Molecular Processing
Molecular formula
C12H16N2O2
Molecular weight
220.27
Exact mass
220.1212
XLogP
3.08
TPSA
55.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
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
63.85
Supplementary Information
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