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

Formula:C17H11NO2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)but-3-enoate is a drug-like molecule.

MolName	(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)but-3-enoate
MolecularFormula	C17H11NO2ClS
Smiles	[O-]C(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)/p-1
InChIK	RVYJVEHNWOKCBK-UHFFFAOYSA-M
TotalMolweight	328.798
Molweight	328.798
MonoisotopicMass	328.019901
CLogP	1.8023
CLogS	-4.226
H Acceptors	3
TotalSurfaceArea	241.49
Relative PSA	0.24287
PolarSurfaceArea	81.26
Druglikeness	1.8953
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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