Molecule

ID:112477

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O
Molecular Mass
110.1537
Exact Mass
110.07316494
Charge
0
InChI
InChI=1S/C7H10O/c1-8-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3
InChIKey
LNRUJSUKKBJFOM-UHFFFAOYSA-N
Canonic Smiles
COC1=CC=CCC1
Isomeric Smiles
COC1=CC=CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2296417
LogD (pH = 7.4)
1.2296417
Log P
1.2296417
Molar Refractivity
36.6367
Polarizability
13.1115055
Polar Surface Area
9.23
Rotatable Bonds
1
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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