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

Formula:C23H12N3O3F3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile
MolecularFormula	C23H12N3O3F3S
Smiles	N#C/C(/c1nc(-c2cc([N+]([O-])=O)ccc2)cs1)=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1
InChI	InChI=1S/C23H12F3N3O3S/c24-23(25,26)17-5-1-4-15(9-17)21-8-7-19(32-21)11-16(12-27)22-28-20(13-33-22)14-3-2-6-18(10-14)29(30)31/h1-11,13H
InChIK	NYCYKDWCIYCTGG-UHFFFAOYSA-N
TotalMolweight	467.426
Molweight	467.426
MonoisotopicMass	467.055146
CLogP	4.7785
CLogS	-7.135
H Acceptors	6
TotalSurfaceArea	336.48
Relative PSA	0.26575
PolarSurfaceArea	123.88
Druglikeness	-12.955
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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