Nombre: 3-(3-Chloro-benzylamino)-phthalic acid
SMILES:
O=C(O)c1cccc(NCc2cccc(Cl)c2)c1C(=O)OMolecular Processing
Molecular formula
C15H12ClNO4
Molecular weight
305.72
Exact mass
305.0455
XLogP
3.35
TPSA
86.63
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
79.14
Supplementary Information
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