Molecule

ID:101685

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O
Molecular Mass
100.15888
Exact Mass
100.088815
Charge
0
InChI
InChI=1S/C6H12O/c1-2-3-4-6-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1
InChIKey
WHNBDXQTMPYBAT-LURJTMIESA-N
Canonic Smiles
CCCC[C@H]1CO1
Isomeric Smiles
O1C[C@@H]1CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7812593
LogD (pH = 7.4)
1.7812593
Log P
1.7812593
Molar Refractivity
29.1883
Polarizability
11.74312
Polar Surface Area
12.53
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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