(Z)-3-(1,3-benzothiazol-2-yl)-4-[5-(2,5-dichlorophenyl)furan-2-yl]but-3-enoic acid

Formula:C21H13NO3Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high (Z)-3-(1,3-benzothiazol-2-yl)-4-[5-(2,5-dichlorophenyl)furan-2-yl]but-3-enoic acid is not a drug-like molecule.

MolName	(Z)-3-(1,3-benzothiazol-2-yl)-4-[5-(2,5-dichlorophenyl)furan-2-yl]but-3-enoic acid
MolecularFormula	C21H13NO3Cl2S
Smiles	OC(C/C(/c1nc(cccc2)c2s1)=C/c1ccc(-c(cc(cc2)Cl)c2Cl)o1)=O
InChI	InChI=1S/C21H13Cl2NO3S/c22-13-5-7-16(23)15(11-13)18-8-6-14(27-18)9-12(10-20(25)26)21-24-17-3-1-2-4-19(17)28-21/h1-9,11H,10H2,(H,25,26)
InChIK	WZDCMQWZNFRLMD-UHFFFAOYSA-N
TotalMolweight	430.31
Molweight	430.31
MonoisotopicMass	428.999318
CLogP	5.4232
CLogS	-6.422
H Acceptors	4
H Donors	1
TotalSurfaceArea	305.18
Relative PSA	0.23455
PolarSurfaceArea	91.57
Druglikeness	2.9897
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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