Molecule

ID:74437

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀O
Molecular Mass
144.2545
Exact Mass
144.15141526
Charge
0
InChI
InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3
InChIKey
NGDNVOAEIVQRFH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(O)C
Isomeric Smiles
OC(CCCCCCC)C
Calculated Properties
JChem
LogD (pH = 7.4)
3.00
LogD (pH = 5.5)
3.00
Log P
3.00
Rotatable Bonds
6
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.63
Polar Surface Area
20.23
Polarizability
19.26
Molar Refractivity
44.96
LOG S
-2.76
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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