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

Formula:C22H21N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(2E,4E)-2-[(2-chlorobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]butanoic acid is a drug-like molecule.

MolName	4-[[(2E,4E)-2-[(2-chlorobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]butanoic acid
MolecularFormula	C22H21N2O4Cl
Smiles	OC(CCCNC(/C(/NC(c(cccc1)c1Cl)=O)=C\C=C\c1ccccc1)=O)=O
InChI	InChI=1S/C22H21ClN2O4/c23-18-12-5-4-11-17(18)21(28)25-19(22(29)24-15-7-14-20(26)27)13-6-10-16-8-2-1-3-9-16/h1-6,8-13H,7,14-15H2,(H,24,29)(H,25,28)(H,26,27)
InChIK	NTJDIQUMGALQND-UHFFFAOYSA-N
TotalMolweight	412.872
Molweight	412.872
MonoisotopicMass	412.118985
CLogP	4.0165
CLogS	-4.729
H Acceptors	6
H Donors	3
TotalSurfaceArea	323.45
Relative PSA	0.23231
PolarSurfaceArea	95.5
Druglikeness	1.4123
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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