Molecule

ID:122020

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₂
Molecular Mass
170.24872
Exact Mass
170.13067982
Charge
0
InChI
InChI=1S/C10H18O2/c1-3-5-7-10(4-2)8-6-9(11)12-10/h3-8H2,1-2H3/t10-/m0/s1
InChIKey
KPODJTXDIIOWSY-JTQLQIEISA-N
Canonic Smiles
CCCC[C@@]1(CC)CCC(=O)O1
Isomeric Smiles
O1C(=O)CC[C@]1(CC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7808852
LogD (pH = 7.4)
2.7808852
Log P
2.7808852
Molar Refractivity
47.6151
Polarizability
19.182886
Polar Surface Area
26.3
Rotatable Bonds
4
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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