(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile

Formula:C23H11N2OCl2F3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile
MolecularFormula	C23H11N2OCl2F3S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1
InChI	InChI=1S/C23H11Cl2F3N2OS/c24-16-4-1-13(2-5-16)20-12-32-22(30-20)14(11-29)9-17-6-8-21(31-17)18-10-15(23(26,27)28)3-7-19(18)25/h1-10,12H
InChIK	OOMJZSNENDOLAY-UHFFFAOYSA-N
TotalMolweight	491.319
Molweight	491.319
MonoisotopicMass	489.992121
CLogP	6.9121
CLogS	-8.147
H Acceptors	3
TotalSurfaceArea	343.65
Relative PSA	0.17169
PolarSurfaceArea	78.06
Druglikeness	-7.8476
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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1 - (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile | 2 - (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile

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