Molecule

ID:87361

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O
Molecular Mass
102.17476
Exact Mass
102.10446507
Charge
0
InChI
InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChIKey
ZAFNJMIOTHYJRJ-UHFFFAOYSA-N
Canonic Smiles
CC(OC(C)C)C
Isomeric Smiles
O(C(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6713154
LogD (pH = 7.4)
1.6713154
Log P
1.6713154
Molar Refractivity
31.3473
Polarizability
12.476034
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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