3-[(2E)-2-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methylidene-5-oxopyrazolidin-4-ylidene]hydrazinyl]benzoate

Formula:C20H13N5O3ClS Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-[(2E)-2-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methylidene-5-oxopyrazolidin-4-ylidene]hydrazinyl]benzoate is a drug-like molecule.

MolName	3-[(2E)-2-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methylidene-5-oxopyrazolidin-4-ylidene]hydrazinyl]benzoate
MolecularFormula	C20H13N5O3ClS
Smiles	C=C(/C(/C1=O)=N\Nc2cc(C([O-])=O)ccc2)NN1c1nc(-c(cc2)ccc2Cl)cs1
InChI	InChI=1S/C20H14ClN5O3S/c1-11-17(24-23-15-4-2-3-13(9-15)19(28)29)18(27)26(25-11)20-22-16(10-30-20)12-5-7-14(21)8-6-12/h2-10,23,25H,1H2,(H,28,29)/p-1
InChIK	GVZPLRXRIZXXFZ-UHFFFAOYSA-M
TotalMolweight	438.874
Molweight	438.874
MonoisotopicMass	438.042762
CLogP	2.5727
CLogS	-5.282
H Acceptors	8
H Donors	2
TotalSurfaceArea	311.37
Relative PSA	0.35222
PolarSurfaceArea	137.99
Druglikeness	3.01
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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