Molecule

ID:56854

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₃
Molecular Mass
214.64554
Exact Mass
214.03967189
Charge
0
InChI
InChI=1S/C10H11ClO3/c1-3-14-9-7(10(11)12)5-4-6-8(9)13-2/h4-6H,3H2,1-2H3
InChIKey
QNWBKBUDIBNWER-UHFFFAOYSA-N
Canonic Smiles
CCOc1c(OC)cccc1C(=O)Cl
Isomeric Smiles
c1cc(c(c(c1)OC)OCC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2056239
LogD (pH = 7.4)
2.2056239
Log P
2.2056239
Molar Refractivity
54.8477
Polarizability
21.000027
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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