5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate

Formula:C13H9N2O6Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate is a drug-like molecule.

MolName	5-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
MolecularFormula	C13H9N2O6Cl2S
Smiles	[O-]S(c1ccc(/C=N\NC(COc(ccc(Cl)c2)c2Cl)=O)o1)(=O)=O
InChI	InChI=1S/C13H10Cl2N2O6S/c14-8-1-3-11(10(15)5-8)22-7-12(18)17-16-6-9-2-4-13(23-9)24(19,20)21/h1-6H,7H2,(H,17,18)(H,19,20,21)/p-1
InChIK	HAKPKPMEEGXFLG-UHFFFAOYSA-M
TotalMolweight	392.194
Molweight	392.194
MonoisotopicMass	390.955837
CLogP	-0.2023
CLogS	-3.024
H Acceptors	8
H Donors	1
TotalSurfaceArea	267.39
Relative PSA	0.38513
PolarSurfaceArea	129.41
Druglikeness	1.5573
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	1
AcidicOxygens	1
StereoCon

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