Molecule

ID:112581

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O
Molecular Mass
100.15888
Exact Mass
100.088815
Charge
0
InChI
InChI=1S/C6H12O/c1-6-4-2-3-5-7-6/h6H,2-5H2,1H3
InChIKey
YBDQLHBVNXARAU-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCO1
Isomeric Smiles
CC1CCCCO1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3914906
LogD (pH = 7.4)
1.3914906
Log P
1.3914906
Molar Refractivity
29.5733
Polarizability
11.74312
Polar Surface Area
9.23
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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