Molecule

ID:108384

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/h10H,2-5,8-9H2,1H3
InChIKey
TZZVRLFUTNYDEG-UHFFFAOYSA-N
Canonic Smiles
CCCCCC#CCCO
Isomeric Smiles
CCCCCC#CCCO
Calculated Properties
JChem
Acid pKa
16.1264
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.612872
LogD (pH = 7.4)
2.612872
Log P
2.612872
Molar Refractivity
44.5013
Polarizability
16.833944
Polar Surface Area
20.23
Rotatable Bonds
6
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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