Nombre: 4′-methyl-5-nitro-biphenyl-3-carboxylic acid
SMILES:
Cc1ccc(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)cc1Molecular Processing
Molecular formula
C14H11NO4
Molecular weight
257.25
Exact mass
257.0688
XLogP
3.27
TPSA
80.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
70.23
Supplementary Information
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