(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile

Formula:C20H10N2OCl2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C20H10N2OCl2S2
Smiles	N#C/C(/Sc1nc(cccc2)c2s1)=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1
InChI	InChI=1S/C20H10Cl2N2OS2/c21-12-5-7-16(22)15(9-12)18-8-6-13(25-18)10-14(11-23)26-20-24-17-3-1-2-4-19(17)27-20/h1-10H
InChIK	KOADFABKJPJOIB-UHFFFAOYSA-N
TotalMolweight	429.35
Molweight	429.35
MonoisotopicMass	427.961157
CLogP	6.5375
CLogS	-8.442
H Acceptors	3
TotalSurfaceArea	306.52
Relative PSA	0.24954
PolarSurfaceArea	103.36
Druglikeness	-2.2055
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
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
StereoCon

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