SMILES:
CCCC(Nc1nc2ccc(Cl)cc2cc1C(=O)O)C(=O)OMolecular Processing
Molecular formula
C15H15ClN2O4
Molecular weight
322.75
Exact mass
322.072
XLogP
3.25
TPSA
99.52
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
83.67
Supplementary Information
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