Molecule

ID:13264

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂O
Molecular Mass
262.39044
Exact Mass
262.20451346
Charge
0
InChI
InChI=1S/C16H26N2O/c1-3-18(4-2)15-9-7-14(8-10-15)12-17-13-16-6-5-11-19-16/h7-10,16-17H,3-6,11-13H2,1-2H3
InChIKey
NGJVPKOSAHIGHX-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)CNCC1CCCO1)CC
Isomeric Smiles
C1(CNCc2ccc(cc2)N(CC)CC)OCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.611639
LogD (pH = 7.4)
0.80109733
Log P
2.7718434
Molar Refractivity
81.4865
Polarizability
31.389423
Polar Surface Area
24.5
Rotatable Bonds
7
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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