Molecule

ID:13999

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₃
Molecular Mass
214.64554
Exact Mass
214.03967189
Charge
0
InChI
InChI=1S/C10H11ClO3/c1-3-14-10-8(11)4-7(6-12)5-9(10)13-2/h4-6H,3H2,1-2H3
InChIKey
RPBVYQARIAYXAD-UHFFFAOYSA-N
Canonic Smiles
CCOc1c(Cl)cc(cc1OC)C=O
Isomeric Smiles
c1(c(cc(cc1Cl)C=O)OC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3312583
LogD (pH = 7.4)
2.3312583
Log P
2.3312583
Molar Refractivity
55.1218
Polarizability
21.036182
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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