COc1cc([N+](=O)[O-])c(C(N)=O)cc1OCc1ccccc1
Name: 4-methoxy-5-benzyloxy-2-nitrobenzamide
SMILES: COc1cc([N+](=O)[O-])c(C(N)=O)cc1OCc1ccccc1

Molecular Processing

Molecular formula
C15H14N2O5
Molecular weight
302.29
Exact mass
302.0903
XLogP
2.28
TPSA
104.69
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
78.94

Supplementary Information

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