2-[[(E)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]acetic acid

Formula:C16H12NO4F3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[[(E)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(E)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]acetic acid
MolecularFormula	C16H12NO4F3
Smiles	OC(CNC(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)=O)=O
InChI	InChI=1S/C16H12F3NO4/c17-16(18,19)11-3-1-2-10(8-11)13-6-4-12(24-13)5-7-14(21)20-9-15(22)23/h1-8H,9H2,(H,20,21)(H,22,23)
InChIK	GWUQEYIBYHMNGM-UHFFFAOYSA-N
TotalMolweight	339.268
Molweight	339.268
MonoisotopicMass	339.071843
CLogP	2.3448
CLogS	-4.004
H Acceptors	5
H Donors	2
TotalSurfaceArea	245.74
Relative PSA	0.26349
PolarSurfaceArea	79.54
Druglikeness	-10.528
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]acetic acid | 2 - 2-[[(E)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]acetic acid

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