Molecule

ID:18209

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₃
Molecular Mass
214.64554
Exact Mass
214.03967189
Charge
0
InChI
InChI=1S/C10H11ClO3/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5H,6H2,1-2H3
InChIKey
CWNPZROBLGHLIW-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1ccc(cc1OC)OC
Isomeric Smiles
c1(c(cc(cc1)OC)OC)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.085586
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7528946
LogD (pH = 7.4)
1.7528946
Log P
1.7528946
Molar Refractivity
54.1404
Polarizability
20.967075
Polar Surface Area
35.53
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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