Molecule

ID:12659

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O
Molecular Mass
152.23344
Exact Mass
152.12011513
Charge
0
InChI
InChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3
InChIKey
OGCGGWYLHSJRFY-UHFFFAOYSA-N
Canonic Smiles
O=CCC1CC=C(C1(C)C)C
Isomeric Smiles
C1=C(C(C(C1)CC=O)(C)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.94
LogD (pH = 5.5)
1.94
Log P
1.94
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
17.66
Polar Surface Area
17.07
Polarizability
18.06
Molar Refractivity
47.32
LOG S
-1.84
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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