Molecule

ID:55290

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-14-12-4-2-10(3-5-12)13-11-6-8-15-9-7-11/h2-5,11,13H,6-9H2,1H3
InChIKey
VZHPVWDYTQYGFB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC1CCOCC1
Isomeric Smiles
N(c1ccc(cc1)OC)C1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7061277
LogD (pH = 7.4)
1.2360176
Log P
1.2495388
Molar Refractivity
61.1905
Polarizability
23.154034
Polar Surface Area
30.49
Rotatable Bonds
3
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
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References
Bioactivity
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