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

Formula:C22H11N3O3ClFS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C22H11N3O3ClFS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=C\c1ccc(-c(ccc([N+]([O-])=O)c2)c2Cl)o1
InChI	InChI=1S/C22H11ClFN3O3S/c23-19-10-16(27(28)29)5-7-18(19)21-8-6-17(30-21)9-14(11-25)22-26-20(12-31-22)13-1-3-15(24)4-2-13/h1-10,12H
InChIK	FZNPKCRFWROEMM-UHFFFAOYSA-N
TotalMolweight	451.864
Molweight	451.864
MonoisotopicMass	451.019367
CLogP	4.637
CLogS	-7.407
H Acceptors	6
TotalSurfaceArea	328.79
Relative PSA	0.27197
PolarSurfaceArea	123.88
Druglikeness	-7.042
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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

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