Molecule

ID:87595

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂O
Molecular Mass
124.18028
Exact Mass
124.088815
Charge
0
InChI
InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
InChIKey
NWZIYQNUCXUJJJ-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccco1
Isomeric Smiles
o1cccc1CCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7247124
LogD (pH = 7.4)
2.7247124
Log P
2.7247124
Molar Refractivity
37.4471
Polarizability
14.481608
Polar Surface Area
13.14
Rotatable Bonds
3
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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