Molecule

ID:128235

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₃
Molecular Mass
214.64554
Exact Mass
214.03967189
Charge
0
InChI
InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKey
WNTGYJSOUMFZEP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccc(cc1C)Cl)C
Isomeric Smiles
Cc1c(ccc(c1)Cl)OC(C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.465226
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.95470816
LogD (pH = 7.4)
-0.4056939
Log P
2.979788
Molar Refractivity
52.9457
Polarizability
20.724642
Polar Surface Area
46.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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