Molecule

ID:87592

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄O
Molecular Mass
138.20686
Exact Mass
138.10446507
Charge
0
InChI
InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
InChIKey
YVBAUDVGOFCUSG-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccco1
Isomeric Smiles
o1cccc1CCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.169281
LogD (pH = 7.4)
3.169281
Log P
3.169281
Molar Refractivity
42.0481
Polarizability
16.326061
Polar Surface Area
13.14
Rotatable Bonds
4
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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