Molecule

ID:118457

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₃
Molecular Mass
214.64554
Exact Mass
214.03967189
Charge
0
InChI
InChI=1S/C10H11ClO3/c1-2-13-8-3-5-9(6-4-8)14-7-10(11)12/h3-6H,2,7H2,1H3
InChIKey
AAWZWSVNYNIBHJ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)OCC(=O)Cl
Isomeric Smiles
C(=O)(COc1ccc(cc1)OCC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.026024
LogD (pH = 7.4)
2.026024
Log P
2.026024
Molar Refractivity
53.6761
Polarizability
21.02282
Polar Surface Area
35.53
Rotatable Bonds
5
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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