2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]acetic acid

Formula:C11H9NO3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]acetic acid
MolecularFormula	C11H9NO3Cl2
Smiles	OC(CNC(/C=C/c(ccc(Cl)c1)c1Cl)=O)=O
InChI	InChI=1S/C11H9Cl2NO3/c12-8-3-1-7(9(13)5-8)2-4-10(15)14-6-11(16)17/h1-5H,6H2,(H,14,15)(H,16,17)
InChIK	PEEXQSVYEIZUGT-UHFFFAOYSA-N
TotalMolweight	274.102
Molweight	274.102
MonoisotopicMass	272.995948
CLogP	1.7696
CLogS	-3.238
H Acceptors	4
H Donors	2
TotalSurfaceArea	197.67
Relative PSA	0.25618
PolarSurfaceArea	66.4
Druglikeness	-4.6274
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70588
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]acetic acid | 2 - 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]acetic acid

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