CN(CC(C)(O)Cn1cc([N+](=O)[O-])nc1Cl)C(=O)OCc1ccc(F)cc1
名称: 4-Fluorobenzyl [3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl]-N-methylcarbamate
SMILES: CN(CC(C)(O)Cn1cc([N+](=O)[O-])nc1Cl)C(=O)OCc1ccc(F)cc1

Molecular Processing

Molecular formula
C16H18ClFN4O5
Molecular weight
400.79
Exact mass
400.095
XLogP
2.6
TPSA
110.73
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
93.73

Supplementary Information

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