Molecule

ID:13212

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃N₃
Molecular Mass
269.38462
Exact Mass
269.18919775
Charge
0
InChI
InChI=1S/C17H23N3/c1-3-20(4-2)17-9-7-15(8-10-17)12-19-14-16-6-5-11-18-13-16/h5-11,13,19H,3-4,12,14H2,1-2H3
InChIKey
ULNFGTGKYQAVCF-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)CNCc1cccnc1)CC
Isomeric Smiles
c1cncc(c1)CNCc1ccc(cc1)N(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.3335879
LogD (pH = 7.4)
1.4615924
Log P
2.8600552
Molar Refractivity
85.6875
Polarizability
32.784527
Polar Surface Area
28.16
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
No Data Available
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Molecule Details
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References
Bioactivity
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