Molecule
ID:112374
General Information
Molecular Formula
C₉H₁₈O
Molecular Mass
142.23862
Exact Mass
142.1357652
Charge
0
InChI
InChI=1S/C9H18O/c1-4-6-7-9(10)8(3)5-2/h8H,4-7H2,1-3H3
InChIKey
NXTOCVYXABBSGX-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)C(CC)C
Isomeric Smiles
CCCCC(=O)C(C)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3840437
LogD (pH = 7.4)
3.3840437
Log P
3.3840437
Molar Refractivity
43.8261
Polarizability
17.387396
Polar Surface Area
17.07
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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