Molecule

ID:111514

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂O
Molecular Mass
158.28108
Exact Mass
158.16706532
Charge
0
InChI
InChI=1S/C10H22O/c1-4-7-10(11,8-5-2)9-6-3/h11H,4-9H2,1-3H3
InChIKey
SJTPBRMACCDJPZ-UHFFFAOYSA-N
Canonic Smiles
CCCC(CCC)(CCC)O
Isomeric Smiles
CCCC(O)(CCC)CCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4366553
LogD (pH = 7.4)
3.4366558
Log P
3.4366558
Molar Refractivity
49.4419
Polarizability
19.78336
Polar Surface Area
20.23
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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