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

Formula:C20H17N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(2E,4E)-2-[(2-chlorobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(2E,4E)-2-[(2-chlorobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]acetic acid
MolecularFormula	C20H17N2O4Cl
Smiles	OC(CNC(/C(/NC(c(cccc1)c1Cl)=O)=C\C=C\c1ccccc1)=O)=O
InChI	InChI=1S/C20H17ClN2O4/c21-16-11-5-4-10-15(16)19(26)23-17(20(27)22-13-18(24)25)12-6-9-14-7-2-1-3-8-14/h1-12H,13H2,(H,22,27)(H,23,26)(H,24,25)
InChIK	SXLGBZXVHCJDSJ-UHFFFAOYSA-N
TotalMolweight	384.818
Molweight	384.818
MonoisotopicMass	384.087685
CLogP	3.1077
CLogS	-4.189
H Acceptors	6
H Donors	3
TotalSurfaceArea	295.93
Relative PSA	0.25391
PolarSurfaceArea	95.5
Druglikeness	-1.2748
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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

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