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

Formula:C22H22N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]amino]butanoic acid is a drug-like molecule.

MolName	4-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]amino]butanoic acid
MolecularFormula	C22H22N2O4
Smiles	OC(CCCNC(/C(/NC(c1ccccc1)=O)=C/C=C/c1ccccc1)=O)=O
InChI	InChI=1S/C22H22N2O4/c25-20(26)15-8-16-23-22(28)19(14-7-11-17-9-3-1-4-10-17)24-21(27)18-12-5-2-6-13-18/h1-7,9-14H,8,15-16H2,(H,23,28)(H,24,27)(H,25,26)
InChIK	PHIVKXTZGANCGI-UHFFFAOYSA-N
TotalMolweight	378.427
Molweight	378.427
MonoisotopicMass	378.157958
CLogP	3.4105
CLogS	-3.993
H Acceptors	6
H Donors	3
TotalSurfaceArea	308.03
Relative PSA	0.24394
PolarSurfaceArea	95.5
Druglikeness	1.3403
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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