(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)but-3-enoic acid

Formula:C17H12NO2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)but-3-enoic acid is a drug-like molecule.

MolName	(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)but-3-enoic acid
MolecularFormula	C17H12NO2ClS
Smiles	OC(C/C(/c1nc(cccc2)c2s1)=C/c(cc1)ccc1Cl)=O
InChI	InChI=1S/C17H12ClNO2S/c18-13-7-5-11(6-8-13)9-12(10-16(20)21)17-19-14-3-1-2-4-15(14)22-17/h1-9H,10H2,(H,20,21)
InChIK	RVYJVEHNWOKCBK-UHFFFAOYSA-N
TotalMolweight	329.806
Molweight	329.806
MonoisotopicMass	329.027726
CLogP	3.8783
CLogS	-4.226
H Acceptors	3
H Donors	1
TotalSurfaceArea	240.31
Relative PSA	0.23915
PolarSurfaceArea	78.43
Druglikeness	1.8799
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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