Molecule

ID:118965

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-12-10-8-5-3-2-4-7(8)6-9(10)11/h2-5,9-11H,6H2,1H3/t9-,10-/m1/s1
InChIKey
ZHWPZRVYPHGXSF-NXEZZACHSA-N
Canonic Smiles
CO[C@H]1[C@H](O)Cc2c1cccc2
Isomeric Smiles
c12[C@H]([C@@H](Cc1cccc2)O)OC
Calculated Properties
JChem
Acid pKa
13.958715
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3183432
LogD (pH = 7.4)
1.318343
Log P
1.3183432
Molar Refractivity
46.5674
Polarizability
18.1889
Polar Surface Area
29.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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