cyanomethyl 5-[5-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate

Formula:C23H12N3O3ClS Mutagenic:high Tumorigenic:high Reproductive Effective:high cyanomethyl 5-[5-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate is a drug-like molecule.

MolName	cyanomethyl 5-[5-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate
MolecularFormula	C23H12N3O3ClS
Smiles	N#CCOC(c(cc(cc1)-c2ccc(/C=C(\c3nc(cccc4)c4s3)/C#N)o2)c1Cl)=O
InChI	InChI=1S/C23H12ClN3O3S/c24-18-7-5-14(12-17(18)23(28)29-10-9-25)20-8-6-16(30-20)11-15(13-26)22-27-19-3-1-2-4-21(19)31-22/h1-8,11-12H,10H2
InChIK	AHCADAMGRUJLAX-UHFFFAOYSA-N
TotalMolweight	445.885
Molweight	445.885
MonoisotopicMass	445.028789
CLogP	4.4496
CLogS	-6.678
H Acceptors	6
TotalSurfaceArea	336.83
Relative PSA	0.28382
PolarSurfaceArea	128.15
Druglikeness	-1.8841
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Aromatic Nitrogens	1
StereoCon

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1 - cyanomethyl 5-[5-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate | 2 - cyanomethyl 5-[5-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate

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