Molecule

ID:54102

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄O
Molecular Mass
138.20686
Exact Mass
138.10446507
Charge
0
InChI
InChI=1S/C9H14O/c10-8-9-6-4-2-1-3-5-7-9/h6,8H,1-5,7H2/b9-6+
InChIKey
TZBOAAPYTXFCMK-RMKNXTFCSA-N
Canonic Smiles
O=CC1=CCCCCCC1
Isomeric Smiles
C1CC(=CCCCC1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4710653
LogD (pH = 7.4)
2.4710653
Log P
2.4710653
Molar Refractivity
42.9984
Polarizability
16.414505
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
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
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References
Bioactivity
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