2-[[(2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]amino]acetic acid

Formula:C20H18N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]amino]acetic acid
MolecularFormula	C20H18N2O4
Smiles	OC(CNC(/C(/NC(c1ccccc1)=O)=C\C=C\c1ccccc1)=O)=O
InChI	InChI=1S/C20H18N2O4/c23-18(24)14-21-20(26)17(13-7-10-15-8-3-1-4-9-15)22-19(25)16-11-5-2-6-12-16/h1-13H,14H2,(H,21,26)(H,22,25)(H,23,24)
InChIK	GTRXDLWUVNCUFR-UHFFFAOYSA-N
TotalMolweight	350.373
Molweight	350.373
MonoisotopicMass	350.126658
CLogP	2.5017
CLogS	-3.453
H Acceptors	6
H Donors	3
TotalSurfaceArea	280.51
Relative PSA	0.26787
PolarSurfaceArea	95.5
Druglikeness	-1.3373
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[[(2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]amino]acetic acid | 2 - 2-[[(2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]amino]acetic acid

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