Molecule

ID:63777

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈O₂
Molecular Mass
276.41372
Exact Mass
276.20893014
Charge
0
InChI
InChI=1S/C18H28O2/c19-18(20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-11,14-15H,1-7,9,12-13,16H2,(H,19,20)
InChIKey
IXEHFJJSVBVZHI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCCCCc1ccccc1
Isomeric Smiles
C(CCC(=O)O)CCCCCCCCc1ccccc1
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.400875
LogD (pH = 7.4)
3.64174
Log P
6.0566807
Molar Refractivity
83.3756
Polarizability
32.875233
Polar Surface Area
37.3
Rotatable Bonds
12
Lipinski's Rule of Five
false
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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