Molecule

ID:79336

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₄
Molecular Mass
230.64494
Exact Mass
230.03458651
Charge
0
InChI
InChI=1S/C10H11ClO4/c1-13-7-5-4-6(10(12)15-3)8(11)9(7)14-2/h4-5H,1-3H3
InChIKey
RYYAHUFRPCBHCT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1Cl)OC)OC
Isomeric Smiles
O=C(c1c(c(c(cc1)OC)OC)Cl)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.265425
LogD (pH = 7.4)
2.265425
Log P
2.265425
Molar Refractivity
55.8145
Polarizability
21.786474
Polar Surface Area
44.76
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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