Molecule
ID:112142
General Information
Molecular Formula
C₁₀H₁₈O
Molecular Mass
154.24932
Exact Mass
154.1357652
Charge
0
InChI
InChI=1S/C10H18O/c1-9(2)6-5-7-10(3,4)8(9)11/h5-7H2,1-4H3
InChIKey
PLWBUOOIBTVSNN-UHFFFAOYSA-N
Canonic Smiles
O=C1C(C)(C)CCCC1(C)C
Isomeric Smiles
CC1(C)CCCC(C)(C)C1=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6861954
LogD (pH = 7.4)
3.6861954
Log P
3.6861954
Molar Refractivity
46.3984
Polarizability
18.4969
Polar Surface Area
17.07
Rotatable Bonds
0
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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