5-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate

Formula:C13H9N2O6BrClS Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate is a drug-like molecule.

MolName	5-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
MolecularFormula	C13H9N2O6BrClS
Smiles	[O-]S(c1ccc(/C=N\NC(COc(ccc(Cl)c2)c2Br)=O)o1)(=O)=O
InChI	InChI=1S/C13H10BrClN2O6S/c14-10-5-8(15)1-3-11(10)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	CEPIRCRXNLBUJM-UHFFFAOYSA-M
TotalMolweight	436.645
Molweight	436.645
MonoisotopicMass	434.905321
CLogP	-0.0831
CLogS	-3.122
H Acceptors	8
H Donors	1
TotalSurfaceArea	270.6
Relative PSA	0.38056
PolarSurfaceArea	129.41
Druglikeness	-0.92255
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
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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