Molecule

ID:21174

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-14-11-2-4-12(5-3-11)15-9-10-6-7-13-8-10/h2-5,10,13H,6-9H2,1H3
InChIKey
RYMNYILARRKHOM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OCC1CNCC1
Isomeric Smiles
N1CC(COc2ccc(cc2)OC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8803228
LogD (pH = 7.4)
-1.721713
Log P
1.3592503
Molar Refractivity
59.259
Polarizability
23.52632
Polar Surface Area
30.49
Rotatable Bonds
4
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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