이름: cis-1-methyl-4-(4-nitrophenoxy)-3-phenylpiperidine
SMILES:
CN1CC[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1Molecular Processing
Molecular formula
C18H20N2O3
Molecular weight
312.37
Exact mass
312.1474
XLogP
3.46
TPSA
55.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
88.81
Supplementary Information
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