Molecule

ID:2530

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O₂
Molecular Mass
168.23284
Exact Mass
168.11502975
Charge
0
InChI
InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6-,7+,10-/m0/s1
InChIKey
DJQYBVLXBVJHMU-PJKMHFRUSA-N
Canonic Smiles
O[C@@H]1C[C@@]2(C([C@H]1CC2=O)(C)C)C
Isomeric Smiles
[C@]12(C(=O)C[C@@H]([C@H](O)C1)C2(C)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.24
LogD (pH = 5.5)
1.24
Log P
1.24
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
14.88
Polar Surface Area
37.30
Polarizability
18.61
Molar Refractivity
46.08
LOG S
-1.15
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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