Molecule

ID:112040

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O
Molecular Mass
156.2652
Exact Mass
156.15141526
Charge
0
InChI
InChI=1S/C10H20O/c1-2-3-4-7-10(11)8-5-6-9-10/h11H,2-9H2,1H3
InChIKey
LPRXLSZAZXWDMY-UHFFFAOYSA-N
Canonic Smiles
CCCCCC1(O)CCCC1
Isomeric Smiles
CCCCCC1(O)CCCC1
Calculated Properties
JChem
Acid pKa
19.429546
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9729297
LogD (pH = 7.4)
2.97293
Log P
2.97293
Molar Refractivity
47.6397
Polarizability
19.046404
Polar Surface Area
20.23
Rotatable Bonds
4
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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