(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile

Formula:C20H11N2OClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C20H11N2OClS2
Smiles	N#C/C(/Sc1nc(cccc2)c2s1)=C\c1ccc(-c(cc2)ccc2Cl)o1
InChI	InChI=1S/C20H11ClN2OS2/c21-14-7-5-13(6-8-14)18-10-9-15(24-18)11-16(12-22)25-20-23-17-3-1-2-4-19(17)26-20/h1-11H
InChIK	OUWQLUBAEYRPBT-UHFFFAOYSA-N
TotalMolweight	394.905
Molweight	394.905
MonoisotopicMass	394.00013
CLogP	5.9315
CLogS	-7.706
H Acceptors	3
TotalSurfaceArea	291.1
Relative PSA	0.26276
PolarSurfaceArea	103.36
Druglikeness	-2.2055
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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