Molecule

ID:13337

General Information
Structure
Molecular Formula
C₁₆H₂₆N₂O
Molecular Mass
262.39044
Exact Mass
262.20451346
Charge
0
InChI
InChI=1S/C16H26N2O/c1-2-15-4-6-16(7-5-15)14-17-8-3-9-18-10-12-19-13-11-18/h4-7,17H,2-3,8-14H2,1H3
InChIKey
GNNCDEOTPDWRAC-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)CNCCCN1CCOCC1
Isomeric Smiles
C(CNCc1ccc(cc1)CC)CN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5607147
LogD (pH = 7.4)
-0.10485374
Log P
2.3496885
Molar Refractivity
80.9072
Polarizability
31.708656
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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