Molecule

ID:89062

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂O
Molecular Mass
136.19098
Exact Mass
136.088815
Charge
0
InChI
InChI=1S/C9H12O/c1-7-4-5-8(2)9(6-7)10-3/h4-6H,1-3H3
InChIKey
SJZAUIVYZWPNAS-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)ccc1C
Isomeric Smiles
O(c1c(ccc(c1)C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8424172
LogD (pH = 7.4)
2.8424172
Log P
2.8424172
Molar Refractivity
42.6036
Polarizability
16.39171
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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