Molecule

ID:70178

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h1-5,10H,6-8H2/t10-/m1/s1
InChIKey
QNYBOILAKBSWFG-SNVBAGLBSA-N
Canonic Smiles
O(Cc1ccccc1)C[C@H]1OC1
Isomeric Smiles
O1[C@@H](C1)COCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6902891
LogD (pH = 7.4)
1.6902891
Log P
1.6902891
Molar Refractivity
46.3698
Polarizability
18.342747
Polar Surface Area
21.76
Rotatable Bonds
4
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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