(Z)-4-(1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)pent-4-enoic acid

Formula:C18H13NO2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-(1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)pent-4-enoic acid is a drug-like molecule.

MolName	(Z)-4-(1,3-benzothiazol-2-yl)-5-(2,4-dichlorophenyl)pent-4-enoic acid
MolecularFormula	C18H13NO2Cl2S
Smiles	OC(CC/C(/c1nc(cccc2)c2s1)=C/c(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C18H13Cl2NO2S/c19-13-7-5-11(14(20)10-13)9-12(6-8-17(22)23)18-21-15-3-1-2-4-16(15)24-18/h1-5,7,9-10H,6,8H2,(H,22,23)
InChIK	LAFTWQJCWOVPAZ-UHFFFAOYSA-N
TotalMolweight	378.278
Molweight	378.278
MonoisotopicMass	377.004403
CLogP	4.9387
CLogS	-5.232
H Acceptors	3
H Donors	1
TotalSurfaceArea	269.49
Relative PSA	0.21325
PolarSurfaceArea	78.43
Druglikeness	0.58723
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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