(Z)-4-(1,3-benzothiazol-2-yl)-5-[3-(4-chlorophenoxy)phenyl]pent-4-enoic acid

Formula:C24H18NO3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-(1,3-benzothiazol-2-yl)-5-[3-(4-chlorophenoxy)phenyl]pent-4-enoic acid is not a drug-like molecule.

MolName	(Z)-4-(1,3-benzothiazol-2-yl)-5-[3-(4-chlorophenoxy)phenyl]pent-4-enoic acid
MolecularFormula	C24H18NO3ClS
Smiles	OC(CC/C(/c1nc(cccc2)c2s1)=C/c1cccc(Oc(cc2)ccc2Cl)c1)=O
InChI	InChI=1S/C24H18ClNO3S/c25-18-9-11-19(12-10-18)29-20-5-3-4-16(15-20)14-17(8-13-23(27)28)24-26-21-6-1-2-7-22(21)30-24/h1-7,9-12,14-15H,8,13H2,(H,27,28)
InChIK	FLBGLEPTUHREPJ-UHFFFAOYSA-N
TotalMolweight	435.93
Molweight	435.93
MonoisotopicMass	435.069591
CLogP	5.7283
CLogS	-6.793
H Acceptors	4
H Donors	1
TotalSurfaceArea	323.83
Relative PSA	0.20835
PolarSurfaceArea	87.66
Druglikeness	0.62955
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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