Name: NIPAB
SMILES:
O=C(Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C(=O)O)c1Molecular Processing
Molecular formula
C15H12N2O5
Molecular weight
300.27
Exact mass
300.0746
XLogP
2.47
TPSA
109.54
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
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
0.067
Molar refractivity
78.83
Supplementary Information
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