Molecule

ID:19075

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-14-9-5-6-10(12(8-9)15-2)11-4-3-7-13-11/h5-6,8,11,13H,3-4,7H2,1-2H3
InChIKey
RMQJFYAFGGOKQJ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1C1CCCN1
Isomeric Smiles
c1(c(cc(cc1)OC)OC)C1NCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5342672
LogD (pH = 7.4)
-0.7911925
Log P
1.6818167
Molar Refractivity
59.4436
Polarizability
23.522306
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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