Molecule

ID:21103

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO₂
Molecular Mass
221.29546
Exact Mass
221.14157885
Charge
0
InChI
InChI=1S/C13H19NO2/c1-15-9-7-11-2-4-12(5-3-11)16-13-6-8-14-10-13/h2-5,13-14H,6-10H2,1H3
InChIKey
DDWDKHMNQHMXBN-UHFFFAOYSA-N
Canonic Smiles
COCCc1ccc(cc1)OC1CCNC1
Isomeric Smiles
N1CCC(Oc2ccc(cc2)CCOC)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6668547
LogD (pH = 7.4)
-1.1865863
Log P
1.563811
Molar Refractivity
64.1343
Polarizability
25.305992
Polar Surface Area
30.49
Rotatable Bonds
5
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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