phenyl (E)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]prop-2-enoate

Formula:C21H13N2O4F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none phenyl (E)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]prop-2-enoate is a drug-like molecule.

MolName	phenyl (E)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]prop-2-enoate
MolecularFormula	C21H13N2O4F3S
Smiles	[O-][N+](c(cc1)cc(/C=C/C(Oc2ccccc2)=O)c1Sc1ncc(C(F)(F)F)cc1)=O
InChI	InChI=1S/C21H13F3N2O4S/c22-21(23,24)15-7-10-19(25-13-15)31-18-9-8-16(26(28)29)12-14(18)6-11-20(27)30-17-4-2-1-3-5-17/h1-13H
InChIK	LUDGVZOCMCCHNU-UHFFFAOYSA-N
TotalMolweight	446.404
Molweight	446.404
MonoisotopicMass	446.054812
CLogP	4.2636
CLogS	-5.448
H Acceptors	6
TotalSurfaceArea	316.41
Relative PSA	0.2589
PolarSurfaceArea	110.31
Druglikeness	-14.758
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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