(E)-4-[2-[[2-(4-hydroxyphenyl)acetyl]amino]ethylamino]-4-oxobut-2-enoic acid

Formula:C14H16N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[2-[[2-(4-hydroxyphenyl)acetyl]amino]ethylamino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[2-[[2-(4-hydroxyphenyl)acetyl]amino]ethylamino]-4-oxobut-2-enoic acid
MolecularFormula	C14H16N2O5
Smiles	OC(/C=C/C(NCCNC(Cc(cc1)ccc1O)=O)=O)=O
InChI	InChI=1S/C14H16N2O5/c17-11-3-1-10(2-4-11)9-13(19)16-8-7-15-12(18)5-6-14(20)21/h1-6,17H,7-9H2,(H,15,18)(H,16,19)(H,20,21)
InChIK	NFWQGBLJZREYND-UHFFFAOYSA-N
TotalMolweight	292.29
Molweight	292.29
MonoisotopicMass	292.105923
CLogP	-0.3789
CLogS	-1.144
H Acceptors	7
H Donors	4
TotalSurfaceArea	229.91
Relative PSA	0.3838
PolarSurfaceArea	115.73
Druglikeness	2.5828
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7619
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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