Molecule
ID:112368
General Information
Molecular Formula
C₉H₂₀O
Molecular Mass
144.2545
Exact Mass
144.15141526
Charge
0
InChI
InChI=1S/C9H20O/c1-4-5-6-9(10)7-8(2)3/h8-10H,4-7H2,1-3H3
InChIKey
BIAVIOIDPRPYJK-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CC(C)C)O
Isomeric Smiles
CCCCC(O)CC(C)C
Calculated Properties
JChem
Acid pKa
18.807903
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9205756
LogD (pH = 7.4)
2.9205759
Log P
2.9205759
Molar Refractivity
44.8283
Polarizability
17.937511
Polar Surface Area
20.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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