(2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid

Formula:C13H12NO3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid is a drug-like molecule.

MolName	(2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid
MolecularFormula	C13H12NO3F3
Smiles	OC([C@H](Cc1ccccc1)N/C=C\C(C(F)(F)F)=O)=O
InChI	InChI=1S/C13H12F3NO3/c14-13(15,16)11(18)6-7-17-10(12(19)20)8-9-4-2-1-3-5-9/h1-7,10,17H,8H2,(H,19,20)/t10-/m0/s1
InChIK	MLIIENMBDGAIEZ-JTQLQIEISA-N
TotalMolweight	287.236
Molweight	287.236
MonoisotopicMass	287.076928
CLogP	1.0291
CLogS	-2.913
H Acceptors	4
H Donors	2
TotalSurfaceArea	208.79
Relative PSA	0.24254
PolarSurfaceArea	66.4
Druglikeness	-33.774
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	7
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	4
AcidicOxygens	1
StereoCon	this enantiomer

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1 - (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid | 2 - (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid

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