4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]benzoic acid

Formula:C18H12NO2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]benzoic acid is a drug-like molecule.

MolName	4-[(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]benzoic acid
MolecularFormula	C18H12NO2FS
Smiles	OC(c1ccc(/C=C/c2nc(-c(cc3)ccc3F)cs2)cc1)=O
InChI	InChI=1S/C18H12FNO2S/c19-15-8-6-13(7-9-15)16-11-23-17(20-16)10-3-12-1-4-14(5-2-12)18(21)22/h1-11H,(H,21,22)
InChIK	SKEWXRXWALEMEB-UHFFFAOYSA-N
TotalMolweight	325.362
Molweight	325.362
MonoisotopicMass	325.057277
CLogP	4.0328
CLogS	-4.887
H Acceptors	3
H Donors	1
TotalSurfaceArea	244.43
Relative PSA	0.23512
PolarSurfaceArea	78.43
Druglikeness	1.0288
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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