Molecule

ID:18281

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c1-11-7-8-4-5-9(12-2)10(6-8)13-3/h4-6,11H,7H2,1-3H3
InChIKey
XQODFBIAQVJQHF-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(c(c1)OC)OC
Isomeric Smiles
c1(c(ccc(c1)CNC)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9465634
LogD (pH = 7.4)
-0.80174524
Log P
1.2162521
Molar Refractivity
52.2324
Polarizability
20.569063
Polar Surface Area
30.49
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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