Nombre: 7-Nitro-1,2,4,5-tetrahydro-benzo[d]azepin-3-carboxylic acid dimethylamide
SMILES:
CN(C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2CC1Molecular Processing
Molecular formula
C13H17N3O3
Molecular weight
263.3
Exact mass
263.127
XLogP
1.68
TPSA
66.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
71.16
Supplementary Information
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