Molecule

ID:59188

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁NO₂
Molecular Mass
223.31134
Exact Mass
223.15722892
Charge
0
InChI
InChI=1S/C13H21NO2/c1-13(2,3)16-12(15)14-8-10-6-4-5-7-11(10)9-14/h4-5,10-11H,6-9H2,1-3H3
InChIKey
BQRMVHVRBBRSOH-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC2C(C1)CC=CC2)OC(C)(C)C
Isomeric Smiles
C1=CCC2C(C1)CN(C2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2895474
LogD (pH = 7.4)
2.2895474
Log P
2.2895474
Molar Refractivity
64.6891
Polarizability
24.874489
Polar Surface Area
29.54
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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