Molecule

ID:80386

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O
Molecular Mass
140.22274
Exact Mass
140.12011513
Charge
0
InChI
InChI=1S/C9H16O/c1-9(2)5-6-3-7(9)4-8(6)10/h6-8,10H,3-5H2,1-2H3
InChIKey
NFVLRTVRHRAPFB-UHFFFAOYSA-N
Canonic Smiles
OC1CC2CC1CC2(C)C
Isomeric Smiles
OC1C2CC(C(C2)C1)(C)C
Calculated Properties
JChem
Acid pKa
18.3681
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.611457
LogD (pH = 7.4)
1.611457
Log P
1.611457
Molar Refractivity
40.9162
Polarizability
16.468021
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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