(E)-2-(benzenesulfonyl)-3-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile

Formula:C20H11N2O5F3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(benzenesulfonyl)-3-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(benzenesulfonyl)-3-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile
MolecularFormula	C20H11N2O5F3S
Smiles	N#C/C(/S(c1ccccc1)(=O)=O)=C\c1ccc(-c(ccc(C(F)(F)F)c2)c2[N+]([O-])=O)o1
InChI	InChI=1S/C20H11F3N2O5S/c21-20(22,23)13-6-8-17(18(10-13)25(26)27)19-9-7-14(30-19)11-16(12-24)31(28,29)15-4-2-1-3-5-15/h1-11H
InChIK	VQYBRQNOVRCOHB-UHFFFAOYSA-N
TotalMolweight	448.376
Molweight	448.376
MonoisotopicMass	448.034077
CLogP	3.2751
CLogS	-6.941
H Acceptors	7
TotalSurfaceArea	310.6
Relative PSA	0.27904
PolarSurfaceArea	125.27
Druglikeness	-25.806
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	5
AcidicOxygens	1
StereoCon

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