Molecule

ID:8548

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈O
Molecular Mass
142.23862
Exact Mass
142.1357652
Charge
0
InChI
InChI=1S/C9H18O/c1-8(2,3)7(10)9(4,5)6/h1-6H3
InChIKey
UIQGEWJEWJMQSL-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)C(C)(C)C
Isomeric Smiles
C(=O)(C(C)(C)C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7053525
LogD (pH = 7.4)
3.7053525
Log P
3.7053525
Molar Refractivity
43.5996
Polarizability
17.387396
Polar Surface Area
17.07
Rotatable Bonds
2
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
References
Bioactivity
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