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

Formula:C20H10N2OCl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C20H10N2OCl2S
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1
InChI	InChI=1S/C20H10Cl2N2OS/c21-13-5-7-16(22)15(10-13)18-8-6-14(25-18)9-12(11-23)20-24-17-3-1-2-4-19(17)26-20/h1-10H
InChIK	WBXWEAFXRZUIFS-UHFFFAOYSA-N
TotalMolweight	397.284
Molweight	397.284
MonoisotopicMass	395.989087
CLogP	5.4907
CLogS	-6.825
H Acceptors	3
TotalSurfaceArea	289.03
Relative PSA	0.20413
PolarSurfaceArea	78.06
Druglikeness	-1.8778
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Aromatic Nitrogens	1
StereoCon

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