Название: N-benzyl-6,7-dihydro-2-nitro-5H-benzocyclohepten-7-amine
SMILES:
O=[N+]([O-])c1ccc2c(c1)C=CC(NCc1ccccc1)CC2Molecular Processing
Molecular formula
C18H18N2O2
Molecular weight
294.35
Exact mass
294.1368
XLogP
3.71
TPSA
55.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
87.52
Supplementary Information
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