4-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid

Formula:C13H10N2O3Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid is a drug-like molecule.

MolName	4-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid
MolecularFormula	C13H10N2O3Cl2S
Smiles	OS(c(cc1)ccc1N/N=C\c(ccc(Cl)c1)c1Cl)(=O)=O
InChI	InChI=1S/C13H10Cl2N2O3S/c14-10-2-1-9(13(15)7-10)8-16-17-11-3-5-12(6-4-11)21(18,19)20/h1-8,17H,(H,18,19,20)
InChIK	IDNBAERWAHMESX-UHFFFAOYSA-N
TotalMolweight	345.205
Molweight	345.205
MonoisotopicMass	343.978917
CLogP	3.8236
CLogS	-3.227
H Acceptors	5
H Donors	2
TotalSurfaceArea	235.01
Relative PSA	0.27509
PolarSurfaceArea	87.14
Druglikeness	1.9986
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	3
AcidicOxygens	1
StereoCon

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