5-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoic acid

Formula:C21H11N2O3ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoic acid is a drug-like molecule.

MolName	5-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoic acid
MolecularFormula	C21H11N2O3ClS
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c1ccc(-c(cc2)cc(C(O)=O)c2Cl)o1
InChI	InChI=1S/C21H11ClN2O3S/c22-16-7-5-12(10-15(16)21(25)26)18-8-6-14(27-18)9-13(11-23)20-24-17-3-1-2-4-19(17)28-20/h1-10H,(H,25,26)
InChIK	FWRUFSCNWYUAKD-UHFFFAOYSA-N
TotalMolweight	406.848
Molweight	406.848
MonoisotopicMass	406.01789
CLogP	4.3698
CLogS	-6.102
H Acceptors	5
H Donors	1
TotalSurfaceArea	297.71
Relative PSA	0.28598
PolarSurfaceArea	115.36
Druglikeness	-1.7755
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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