Molecule

ID:101421

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)13-7-4-5-8-14(13)17-10-6-9-16(2)11-12-17/h4-5,7-8H,3,6,9-12H2,1-2H3
InChIKey
XAVHDPRFJKPWNA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccccc1N1CCCN(CC1)C
Isomeric Smiles
c1(c(N2CCN(CCC2)C)cccc1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.6003483
LogD (pH = 7.4)
1.132329
Log P
2.3486538
Molar Refractivity
78.176
Polarizability
29.575153
Polar Surface Area
32.78
Rotatable Bonds
4
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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