Molecule

ID:90078

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₃
Molecular Mass
180.20048
Exact Mass
180.07864424
Charge
0
InChI
InChI=1S/C10H12O3/c1-11-8-2-4-9(5-3-8)12-6-10-7-13-10/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKey
AVWGFHZLPMLKBL-SNVBAGLBSA-N
Canonic Smiles
COc1ccc(cc1)OC[C@H]1OC1
Isomeric Smiles
O1C[C@H]1COc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.49917
LogD (pH = 7.4)
1.49917
Log P
1.49917
Molar Refractivity
47.7291
Polarizability
19.015406
Polar Surface Area
30.99
Rotatable Bonds
4
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
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References
Bioactivity
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