Molecule

ID:70189

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O
Molecular Mass
126.19616
Exact Mass
126.10446507
Charge
0
InChI
InChI=1S/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3
InChIKey
KNSPBSQWRKKAPI-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCC1(C)C
Isomeric Smiles
C1(=O)C(CCCC1)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.587195
LogD (pH = 7.4)
2.587195
Log P
2.587195
Molar Refractivity
37.3229
Polarizability
14.80832
Polar Surface Area
17.07
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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