Name: 4-(4-nitrophenoxymethyl)piperidine-1-carboxylic acid benzyl ester
SMILES:
O=C(OCc1ccccc1)N1CCC(COc2ccc([N+](=O)[O-])cc2)CC1Molecular Processing
Molecular formula
C20H22N2O5
Molecular weight
370.41
Exact mass
370.1529
XLogP
4.02
TPSA
81.91
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
99.52
Supplementary Information
Details werden geladen…
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