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

Formula:C17H11N2O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 4-fluorobenzoate is a drug-like molecule.

MolName	[4-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 4-fluorobenzoate
MolecularFormula	C17H11N2O3FS
Smiles	NC(S/C1=C/c(cc2)ccc2OC(c(cc2)ccc2F)=O)=NC1=O
InChI	InChI=1S/C17H11FN2O3S/c18-12-5-3-11(4-6-12)16(22)23-13-7-1-10(2-8-13)9-14-15(21)20-17(19)24-14/h1-9H,(H2,19,20,21)
InChIK	WATVVUSTGWNKSP-UHFFFAOYSA-N
TotalMolweight	342.349
Molweight	342.349
MonoisotopicMass	342.047441
CLogP	2.5293
CLogS	-5.073
H Acceptors	5
H Donors	1
TotalSurfaceArea	245.06
Relative PSA	0.32788
PolarSurfaceArea	107.05
Druglikeness	0.82933
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
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	4
BasicNitrogens	1
StereoCon

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