Molecule

ID:131798

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₂
Molecular Mass
214.25976
Exact Mass
214.09937969
Charge
0
InChI
InChI=1S/C14H14O2/c1-2-5-14(15)16-13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10H,2,5H2,1H3
InChIKey
KCWQXDQUKLJUEU-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)Oc1ccc2c(c1)cccc2
Isomeric Smiles
CCCC(=O)Oc1ccc2ccccc2c1
Calculated Properties
JChem
LogD (pH = 7.4)
3.72
LogD (pH = 5.5)
3.72
Log P
3.72
Rotatable Bonds
4
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.18
Polar Surface Area
26.30
Polarizability
24.20
Molar Refractivity
62.87
LOG S
-4.53
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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