Molecule

ID:77558

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂O
Molecular Mass
136.19098
Exact Mass
136.088815
Charge
0
InChI
InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m0/s1
InChIKey
WYTRYIUQUDTGSX-QMMMGPOBSA-N
Canonic Smiles
C[C@@H](Cc1ccccc1)O
Isomeric Smiles
O[C@@H](C)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
15.55923
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9111323
LogD (pH = 7.4)
1.9111322
Log P
1.9111323
Molar Refractivity
42.0477
Polarizability
16.410446
Polar Surface Area
20.23
Rotatable Bonds
2
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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