(E)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]prop-2-enoic acid

Formula:C15H9N2O4F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-[5-nitro-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]prop-2-enoic acid
MolecularFormula	C15H9N2O4F3S
Smiles	[O-][N+](c(cc1)cc(/C=C/C(O)=O)c1Sc1ncc(C(F)(F)F)cc1)=O
InChI	InChI=1S/C15H9F3N2O4S/c16-15(17,18)10-2-5-13(19-8-10)25-12-4-3-11(20(23)24)7-9(12)1-6-14(21)22/h1-8H,(H,21,22)
InChIK	XYOUZHFSFDPHGK-UHFFFAOYSA-N
TotalMolweight	370.306
Molweight	370.306
MonoisotopicMass	370.023512
CLogP	2.3182
CLogS	-3.991
H Acceptors	6
H Donors	1
TotalSurfaceArea	253
Relative PSA	0.33605
PolarSurfaceArea	121.31
Druglikeness	-11.461
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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