3-[[4-chloro-2-oxo-5-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]-1,3-thiazol-3-yl]methyl]benzoate

Formula:C20H15N3O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[4-chloro-2-oxo-5-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]-1,3-thiazol-3-yl]methyl]benzoate is a drug-like molecule.

MolName	3-[[4-chloro-2-oxo-5-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]-1,3-thiazol-3-yl]methyl]benzoate
MolecularFormula	C20H15N3O5ClS
Smiles	[O-]C(c1cccc(CN(C(Cl)=C(/C=N\NC(COc2ccccc2)=O)S2)C2=O)c1)=O
InChI	InChI=1S/C20H16ClN3O5S/c21-18-16(10-22-23-17(25)12-29-15-7-2-1-3-8-15)30-20(28)24(18)11-13-5-4-6-14(9-13)19(26)27/h1-10H,11-12H2,(H,23,25)(H,26,27)/p-1
InChIK	RJCKYOPHCILSDY-UHFFFAOYSA-M
TotalMolweight	444.874
Molweight	444.874
MonoisotopicMass	444.042094
CLogP	0.5559
CLogS	-5.121
H Acceptors	8
H Donors	1
TotalSurfaceArea	320.17
Relative PSA	0.33548
PolarSurfaceArea	136.43
Druglikeness	7.3588
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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