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C9H6O2Cl Na | Cheminformatics
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sodium;(Z)-3-(4-chlorophenyl)-3-oxoprop-1-en-1-olate

Molecular Formula : C9H6O2Cl.Na | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
sodium;(Z)-3-(4-chlorophenyl)-3-oxoprop-1-en-1-olate is a drug-like molecule.

MolName : sodium;(Z)-3-(4-chlorophenyl)-3-oxoprop-1-en-1-olate

MolecularFormula : C9H6O2Cl.Na

Smiles : [O-]/C=C\C(c(cc1)ccc1Cl)=O.[Na+]

InChI : InChI=1S/C9H7ClO2.Na/c10-8-3-1-7(2-4-8)9(12)5-6-11;/h1-6,11H;/q;+1/p-1

InChIK : LYOIELAPKWHZLI-UHFFFAOYSA-M

TotalMolweight : 204.588

Molweight : 181.598

MonoisotopicMass : 181.005632

CLogP : -0.6579

CLogS : -3.023

H Acceptors : 2

TotalSurfaceArea : 140.46

Relative PSA : 0.1945

PolarSurfaceArea : 40.13

Druglikeness : -0.045587

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.75

Fragments : 2

Non HAtoms : 12

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 2

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 1

Symmetricatoms : 2

StereoCon :

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