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

Formula:C21H19N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(2E,4E)-2-[(2-chlorobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]propanoic acid is a drug-like molecule.

MolName	3-[[(2E,4E)-2-[(2-chlorobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]propanoic acid
MolecularFormula	C21H19N2O4Cl
Smiles	OC(CCNC(/C(/NC(c(cccc1)c1Cl)=O)=C\C=C\c1ccccc1)=O)=O
InChI	InChI=1S/C21H19ClN2O4/c22-17-11-5-4-10-16(17)20(27)24-18(21(28)23-14-13-19(25)26)12-6-9-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,23,28)(H,24,27)(H,25,26)
InChIK	XNWTWZQBJBDRAH-UHFFFAOYSA-N
TotalMolweight	398.845
Molweight	398.845
MonoisotopicMass	398.103335
CLogP	3.5621
CLogS	-4.459
H Acceptors	6
H Donors	3
TotalSurfaceArea	309.69
Relative PSA	0.24263
PolarSurfaceArea	95.5
Druglikeness	3.7404
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - 3-[[(2E,4E)-2-[(2-chlorobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]propanoic acid | 2 - 3-[[(2E,4E)-2-[(2-chlorobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]propanoic acid

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