Molecule

ID:125193

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈O
Molecular Mass
200.36082
Exact Mass
200.21401552
Charge
0
InChI
InChI=1S/C13H28O/c1-10(2,3)13(14,11(4,5)6)12(7,8)9/h14H,1-9H3
InChIKey
LIUBOLYWYDGCSJ-UHFFFAOYSA-N
Canonic Smiles
OC(C(C)(C)C)(C(C)(C)C)C(C)(C)C
Isomeric Smiles
OC(C(C)(C)C)(C(C)(C)C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.3318677
LogD (pH = 7.4)
4.3318706
Log P
4.3318706
Molar Refractivity
62.248
Polarizability
25.321913
Polar Surface Area
20.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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