Molecule

ID:82907

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₂
Molecular Mass
170.24872
Exact Mass
170.13067982
Charge
0
InChI
InChI=1S/C10H18O2/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3,(H,11,12)
InChIKey
OCALSPDXYQHUHA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCC/C=C/C(C)C
Isomeric Smiles
O=C(O)CCCC/C=C/C(C)C
Calculated Properties
JChem
Acid pKa
5.193366
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5890942
LogD (pH = 7.4)
0.8805508
Log P
3.0696995
Molar Refractivity
50.5418
Polarizability
19.414877
Polar Surface Area
37.3
Rotatable Bonds
6
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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