2-[N-(carboxymethyl)-4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]anilino]acetic acid

Formula:C19H17NO6 Mutagenic:high Tumorigenic:low Reproductive Effective:none 2-[N-(carboxymethyl)-4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]anilino]acetic acid is a drug-like molecule.

MolName	2-[N-(carboxymethyl)-4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]anilino]acetic acid
MolecularFormula	C19H17NO6
Smiles	OC(CN(CC(O)=O)c1ccc(/C=C/C(c(cccc2)c2O)=O)cc1)=O
InChI	InChI=1S/C19H17NO6/c21-16-4-2-1-3-15(16)17(22)10-7-13-5-8-14(9-6-13)20(11-18(23)24)12-19(25)26/h1-10,21H,11-12H2,(H,23,24)(H,25,26)
InChIK	FHJYGHYYXFWQKI-UHFFFAOYSA-N
TotalMolweight	355.345
Molweight	355.345
MonoisotopicMass	355.105589
CLogP	1.1145
CLogS	-3.13
H Acceptors	7
H Donors	3
TotalSurfaceArea	269.64
Relative PSA	0.304
PolarSurfaceArea	115.14
Druglikeness	-6.9836
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	6
Amines	1
Aromatic Amines	1
AcidicOxygens	2
StereoCon

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