الاسم: 5-Chloro-N-(3,4-methylenedioxybenzyl)-2-nitrobenzamide
SMILES:
O=C(NCc1ccc2c(c1)OCO2)c1cc(Cl)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C15H11ClN2O5
Molecular weight
334.72
Exact mass
334.0356
XLogP
2.91
TPSA
90.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
81.84
Supplementary Information
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