Molecule

ID:74406

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O₂
Molecular Mass
218.29152
Exact Mass
218.13067982
Charge
0
InChI
InChI=1S/C14H18O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16)
InChIKey
AAJLPPDFIRPBDA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccccc1)C1CCCCC1
Isomeric Smiles
O=C(C(C1CCCCC1)c1ccccc1)O
Calculated Properties
JChem
Acid pKa
4.714324
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9047754
LogD (pH = 7.4)
1.1271333
Log P
3.7555482
Molar Refractivity
63.0905
Polarizability
24.839098
Polar Surface Area
37.3
Rotatable Bonds
3
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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