4-[(2E)-2-[3-methylidene-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-4-ylidene]hydrazinyl]benzoate

Formula:C20H14N5O3S Mutagenic:none Tumorigenic:high Reproductive Effective:none 4-[(2E)-2-[3-methylidene-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-4-ylidene]hydrazinyl]benzoate is a drug-like molecule.

MolName	4-[(2E)-2-[3-methylidene-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-4-ylidene]hydrazinyl]benzoate
MolecularFormula	C20H14N5O3S
Smiles	C=C(/C(/C1=O)=N\Nc(cc2)ccc2C([O-])=O)NN1c1nc(-c2ccccc2)cs1
InChI	InChI=1S/C20H15N5O3S/c1-12-17(23-22-15-9-7-14(8-10-15)19(27)28)18(26)25(24-12)20-21-16(11-29-20)13-5-3-2-4-6-13/h2-11,22,24H,1H2,(H,27,28)/p-1
InChIK	MWRMKZHBPRLDCG-UHFFFAOYSA-M
TotalMolweight	404.429
Molweight	404.429
MonoisotopicMass	404.081735
CLogP	1.9667
CLogS	-4.546
H Acceptors	8
H Donors	2
TotalSurfaceArea	295.95
Relative PSA	0.37057
PolarSurfaceArea	137.99
Druglikeness	2.9746
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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