Molecule

ID:78017

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O
Molecular Mass
98.143
Exact Mass
98.07316494
Charge
0
InChI
InChI=1S/C6H10O/c7-5-6-3-1-2-4-6/h5-6H,1-4H2
InChIKey
VELDYOPRLMJFIK-UHFFFAOYSA-N
Canonic Smiles
O=CC1CCCC1
Isomeric Smiles
O=CC1CCCC1
Calculated Properties
JChem
Acid pKa
18.761358
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2869716
LogD (pH = 7.4)
1.2869716
Log P
1.2869716
Molar Refractivity
28.3195
Polarizability
11.123001
Polar Surface Area
17.07
Rotatable Bonds
1
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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