Molecule

ID:50529

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₂
Molecular Mass
236.3101
Exact Mass
236.15247789
Charge
0
InChI
InChI=1S/C13H20N2O2/c1-9(2)15(10(3)4)13(16)12-8-11(17-5)6-7-14-12/h6-10H,1-5H3
InChIKey
YFXZFQIMLQYBCM-UHFFFAOYSA-N
Canonic Smiles
COc1ccnc(c1)C(=O)N(C(C)C)C(C)C
Isomeric Smiles
c1cnc(cc1OC)C(=O)N(C(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8280686
LogD (pH = 7.4)
1.8285053
Log P
1.8285109
Molar Refractivity
67.1989
Polarizability
25.834314
Polar Surface Area
42.43
Rotatable Bonds
4
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
References
Bioactivity
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