Molecule
ID:124303
General Information
Molecular Formula
C₁₅H₂₁N₃
Molecular Mass
243.34734
Exact Mass
243.17354769
Charge
0
InChI
InChI=1S/C15H21N3/c1-12-15(13(2)18(3)17-12)11-16-10-9-14-7-5-4-6-8-14/h4-8,16H,9-11H2,1-3H3
InChIKey
FZYWSJYZWJKYPS-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1CNCCc1ccccc1)C)C
Isomeric Smiles
c1(c(n(nc1C)C)C)CNCCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8510722
LogD (pH = 7.4)
0.33209676
Log P
2.3035204
Molar Refractivity
87.3182
Polarizability
29.010748
Polar Surface Area
29.85
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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