Molecule

ID:110920

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O
Molecular Mass
140.22274
Exact Mass
140.12011513
Charge
0
InChI
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3
InChIKey
BSAIUMLZVGUGKX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC=CC=O
Isomeric Smiles
CCCCCC/C=C/C=O
Calculated Properties
JChem
LogD (pH = 7.4)
2.98
LogD (pH = 5.5)
2.98
Log P
2.98
Rotatable Bonds
6
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.20
Polar Surface Area
17.07
Polarizability
17.94
Molar Refractivity
45.04
LOG S
-3.21
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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