이름: (1 RS,3RS,4RS)-3-(3,4-dimethoxyphenyl)-4-nitrocyclohexanol
SMILES:
COc1ccc(C2CC(O)CCC2[N+](=O)[O-])cc1OCMolecular Processing
Molecular formula
C14H19NO5
Molecular weight
281.31
Exact mass
281.1263
XLogP
1.98
TPSA
81.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
72.93
Supplementary Information
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