Molecule

ID:7829

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₂
Molecular Mass
170.24872
Exact Mass
170.13067982
Charge
0
InChI
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2,(H,11,12)
InChIKey
KHAVLLBUVKBTBG-UHFFFAOYSA-N
Canonic Smiles
C=CCCCCCCCC(=O)O
Isomeric Smiles
OC(=O)CCCCCCCC=C
Calculated Properties
JChem
LogD (pH = 7.4)
0.90
LogD (pH = 5.5)
2.66
Log P
3.29
Rotatable Bonds
8
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.99
Polar Surface Area
37.30
Polarizability
20.84
Molar Refractivity
49.52
LOG S
-3.23
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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