Molecule

ID:74438

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀O
Molecular Mass
144.2545
Exact Mass
144.15141526
Charge
0
InChI
InChI=1S/C9H20O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-8H2,1-2H3
InChIKey
GYSCXPVAKHVAAY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(CC)O
Isomeric Smiles
OC(CC)CCCCCC
Calculated Properties
JChem
Acid pKa
18.251219
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0781252
LogD (pH = 7.4)
3.0781255
Log P
3.0781255
Molar Refractivity
44.8807
Polarizability
17.937511
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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