(E)-4-[2-[[(E)-3-carboxyprop-2-enoyl]amino]-4-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid

Formula:C15H11N2O6F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[2-[[(E)-3-carboxyprop-2-enoyl]amino]-4-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[2-[[(E)-3-carboxyprop-2-enoyl]amino]-4-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid
MolecularFormula	C15H11N2O6F3
Smiles	OC(/C=C/C(Nc(ccc(C(F)(F)F)c1)c1NC(/C=C/C(O)=O)=O)=O)=O
InChI	InChI=1S/C15H11F3N2O6/c16-15(17,18)8-1-2-9(19-11(21)3-5-13(23)24)10(7-8)20-12(22)4-6-14(25)26/h1-7H,(H,19,21)(H,20,22)(H,23,24)(H,25,26)
InChIK	JSJUXEVZCSZFHI-UHFFFAOYSA-N
TotalMolweight	372.254
Molweight	372.254
MonoisotopicMass	372.056922
CLogP	0.6759
CLogS	-2.652
H Acceptors	8
H Donors	4
TotalSurfaceArea	262.34
Relative PSA	0.38606
PolarSurfaceArea	132.8
Druglikeness	-6.0522
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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1 - (E)-4-[2-[[(E)-3-carboxyprop-2-enoyl]amino]-4-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid | 2 - (E)-4-[2-[[(E)-3-carboxyprop-2-enoyl]amino]-4-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid

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