[4-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 2-chlorobenzoate

Formula:C17H11N2O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 2-chlorobenzoate is a drug-like molecule.

MolName	[4-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 2-chlorobenzoate
MolecularFormula	C17H11N2O3ClS
Smiles	NC(S/C1=C/c(cc2)ccc2OC(c(cccc2)c2Cl)=O)=NC1=O
InChI	InChI=1S/C17H11ClN2O3S/c18-13-4-2-1-3-12(13)16(22)23-11-7-5-10(6-8-11)9-14-15(21)20-17(19)24-14/h1-9H,(H2,19,20,21)
InChIK	WVURROZNUJNLGX-UHFFFAOYSA-N
TotalMolweight	358.804
Molweight	358.804
MonoisotopicMass	358.01789
CLogP	3.0345
CLogS	-5.495
H Acceptors	5
H Donors	1
TotalSurfaceArea	254.13
Relative PSA	0.31618
PolarSurfaceArea	107.05
Druglikeness	2.2485
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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