Molecule

ID:20852

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-14-11-6-2-3-7-12(11)15-10-5-4-8-13-9-10/h2-3,6-7,10,13H,4-5,8-9H2,1H3
InChIKey
QWVSMVKBNRCNFJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OC1CCCNC1
Isomeric Smiles
c1(OC2CNCCC2)c(OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4031662
LogD (pH = 7.4)
-0.2556735
Log P
1.7590644
Molar Refractivity
58.92
Polarizability
23.528578
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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