Molecule

ID:10682

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈O₂
Molecular Mass
266.33432
Exact Mass
266.13067982
Charge
0
InChI
InChI=1S/C18H18O2/c19-17(15-9-3-1-4-10-15)13-7-8-14-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKey
VRBLNWVVFVBNRK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)CCCCC(=O)c1ccccc1
Isomeric Smiles
c1(C(=O)CCCCC(=O)c2ccccc2)ccccc1
Calculated Properties
JChem
Acid pKa
16.754978
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9991324
LogD (pH = 7.4)
3.9991324
Log P
3.9991324
Molar Refractivity
80.3732
Polarizability
31.099442
Polar Surface Area
34.14
Rotatable Bonds
7
Lipinski's Rule of Five
true
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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