Molecule
ID:80406
General Information
Molecular Formula
C₉H₁₄O
Molecular Mass
138.20686
Exact Mass
138.10446507
Charge
0
InChI
InChI=1S/C9H14O/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6H2
InChIKey
SKTMMSQPXGWCAP-UHFFFAOYSA-N
Canonic Smiles
O=C1C2CCCC1CCC2
Isomeric Smiles
O=C1C2CCCC1CCC2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5550096
LogD (pH = 7.4)
2.5550096
Log P
2.5550096
Molar Refractivity
40.1952
Polarizability
15.920088
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
No Data Available
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Related Proteins
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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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