3-[[(2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]amino]propanoic acid

Formula:C21H20N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]amino]propanoic acid is a drug-like molecule.

MolName	3-[[(2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]amino]propanoic acid
MolecularFormula	C21H20N2O4
Smiles	OC(CCNC(/C(/NC(c1ccccc1)=O)=C\C=C\c1ccccc1)=O)=O
InChI	InChI=1S/C21H20N2O4/c24-19(25)14-15-22-21(27)18(13-7-10-16-8-3-1-4-9-16)23-20(26)17-11-5-2-6-12-17/h1-13H,14-15H2,(H,22,27)(H,23,26)(H,24,25)
InChIK	LCHWSKYUXRJEFA-UHFFFAOYSA-N
TotalMolweight	364.4
Molweight	364.4
MonoisotopicMass	364.142308
CLogP	2.9561
CLogS	-3.723
H Acceptors	6
H Donors	3
TotalSurfaceArea	294.27
Relative PSA	0.25534
PolarSurfaceArea	95.5
Druglikeness	3.6714
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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