2-[(E)-C-carboxy-N-(2,4-dichloroanilino)carbonimidoyl]benzoic acid

Formula:C15H10N2O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[(E)-C-carboxy-N-(2,4-dichloroanilino)carbonimidoyl]benzoic acid is a drug-like molecule.

MolName	2-[(E)-C-carboxy-N-(2,4-dichloroanilino)carbonimidoyl]benzoic acid
MolecularFormula	C15H10N2O4Cl2
Smiles	OC(/C(/c(cccc1)c1C(O)=O)=N/Nc(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C15H10Cl2N2O4/c16-8-5-6-12(11(17)7-8)18-19-13(15(22)23)9-3-1-2-4-10(9)14(20)21/h1-7,18H,(H,20,21)(H,22,23)
InChIK	IKVUVRQKXWJLDZ-UHFFFAOYSA-N
TotalMolweight	353.16
Molweight	353.16
MonoisotopicMass	352.001762
CLogP	4.1996
CLogS	-4.469
H Acceptors	6
H Donors	3
TotalSurfaceArea	246.49
Relative PSA	0.30529
PolarSurfaceArea	98.99
Druglikeness	1.6296
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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