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

Formula:C23H16NO3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-(1,3-benzothiazol-2-yl)-4-[3-(4-chlorophenoxy)phenyl]but-3-enoic acid is not a drug-like molecule.

MolName	(Z)-3-(1,3-benzothiazol-2-yl)-4-[3-(4-chlorophenoxy)phenyl]but-3-enoic acid
MolecularFormula	C23H16NO3ClS
Smiles	OC(C/C(/c1nc(cccc2)c2s1)=C/c1cccc(Oc(cc2)ccc2Cl)c1)=O
InChI	InChI=1S/C23H16ClNO3S/c24-17-8-10-18(11-9-17)28-19-5-3-4-15(13-19)12-16(14-22(26)27)23-25-20-6-1-2-7-21(20)29-23/h1-13H,14H2,(H,26,27)
InChIK	MNEVNDWMLGHQKV-UHFFFAOYSA-N
TotalMolweight	421.903
Molweight	421.903
MonoisotopicMass	421.053941
CLogP	5.2739
CLogS	-6.523
H Acceptors	4
H Donors	1
TotalSurfaceArea	310.07
Relative PSA	0.2176
PolarSurfaceArea	87.66
Druglikeness	1.9059
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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