Molecule

ID:82223

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO₂
Molecular Mass
165.18914
Exact Mass
165.0789786
Charge
0
InChI
InChI=1S/C9H11NO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6,10H2
InChIKey
ALBWDNPLQOJPCK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCC1OC1
Isomeric Smiles
O(c1ccc(cc1)N)CC1OC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.70941263
LogD (pH = 7.4)
0.8262003
Log P
0.8279152
Molar Refractivity
45.9663
Polarizability
17.633999
Polar Surface Area
47.78
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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