Molecule

ID:134677

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O
Molecular Mass
99.13565484
Exact Mass
99.07651978
Charge
0
InChI
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2/i6+1
InChIKey
JHIVVAPYMSGYDF-PTQBSOBMSA-N
Canonic Smiles
O=[13C]1CCCCC1
Isomeric Smiles
C1CC[13C](=O)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4881942
LogD (pH = 7.4)
1.4881942
Log P
1.4881942
Molar Refractivity
28.2474
Polarizability
11.123001
Polar Surface Area
17.07
Rotatable Bonds
0
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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