Название: 7-benzylamino-3-nitro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one
SMILES:
O=C1CC(NCc2ccccc2)CCc2ccc([N+](=O)[O-])cc21Molecular Processing
Molecular formula
C18H18N2O3
Molecular weight
310.35
Exact mass
310.1317
XLogP
3.27
TPSA
72.24
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
87.43
Supplementary Information
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