이름: (1S)-1-(3-nitrophenyl)ethanamine
SMILES:
C[C@H](N)c1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C8H10N2O2
Molecular weight
166.18
Exact mass
166.0742
XLogP
1.61
TPSA
69.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
45.7
Supplementary Information
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