Molecule

ID:35660

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈N₂
Molecular Mass
260.41762
Exact Mass
260.22524891
Charge
0
InChI
InChI=1S/C17H28N2/c1-4-10-19-11-6-7-16-12-15(8-9-17(16)19)13-18-14(3)5-2/h8-9,12,14,18H,4-7,10-11,13H2,1-3H3
InChIKey
ICRROYQRGSIMKQ-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCCc2c1ccc(c2)CNC(CC)C
Isomeric Smiles
c12N(CCCc1cc(cc2)CNC(CC)C)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9326811
LogD (pH = 7.4)
1.6789203
Log P
4.299331
Molar Refractivity
84.6092
Polarizability
32.498917
Polar Surface Area
15.27
Rotatable Bonds
6
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
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References
Bioactivity
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