(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C20H10N2O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C20H10N2O2Cl2S
Smiles	N#C/C(/c1nc(-c2ccco2)cs1)=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1
InChI	InChI=1S/C20H10Cl2N2O2S/c21-15-5-3-12(9-16(15)22)18-6-4-14(26-18)8-13(10-23)20-24-17(11-27-20)19-2-1-7-25-19/h1-9,11H
InChIK	CSFXCVJEBFGUIR-UHFFFAOYSA-N
TotalMolweight	413.283
Molweight	413.283
MonoisotopicMass	411.984002
CLogP	5.2895
CLogS	-6.719
H Acceptors	4
TotalSurfaceArea	303.88
Relative PSA	0.24059
PolarSurfaceArea	91.2
Druglikeness	-0.98538
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

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