Molecule

ID:119854

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O
Molecular Mass
152.23344
Exact Mass
152.12011513
Charge
0
InChI
InChI=1S/C10H16O/c1-9(2)7-3-4-10(6-11-10)8(9)5-7/h7-8H,3-6H2,1-2H3/t7-,8+,10?/m1/s1
InChIKey
OUXAABAEPHHZPC-HHCGNCNQSA-N
Canonic Smiles
CC1(C)[C@@H]2CCC3([C@H]1C2)CO3
Isomeric Smiles
C12([C@@H]3C([C@@H](C3)CC2)(C)C)OC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0068274
LogD (pH = 7.4)
2.0068274
Log P
2.0068274
Molar Refractivity
43.588
Polarizability
17.653168
Polar Surface Area
12.53
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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