Molecule

ID:25899

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-8H,1-2H3
InChIKey
NOBKCEXLDDGYID-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OC(C)C
Isomeric Smiles
c1(OC(C)C)cc(C=O)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3014598
LogD (pH = 7.4)
2.3014598
Log P
2.3014598
Molar Refractivity
48.2726
Polarizability
18.42036
Polar Surface Area
26.3
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
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References
Bioactivity
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