Molecule

ID:43324

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₂
Molecular Mass
262.34738
Exact Mass
262.16812795
Charge
0
InChI
InChI=1S/C15H22N2O2/c1-3-19-15(18)13-10-7-11-16-14(13)17(2)12-8-5-4-6-9-12/h7,10-12H,3-6,8-9H2,1-2H3
InChIKey
SBYJUPVFJKXVIO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccnc1N(C1CCCCC1)C
Isomeric Smiles
c1(c(C(=O)OCC)cccn1)N(C1CCCCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5429473
LogD (pH = 7.4)
3.616599
Log P
3.6176302
Molar Refractivity
76.4313
Polarizability
28.994398
Polar Surface Area
42.43
Rotatable Bonds
5
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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