Molecule

ID:62731

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂N₄
Molecular Mass
234.34058
Exact Mass
234.18444672
Charge
0
InChI
InChI=1S/C13H22N4/c1-10-15-11(9-12(16-10)17(3)4)13(2)5-7-14-8-6-13/h9,14H,5-8H2,1-4H3
InChIKey
ROTRJAOHYHMCDD-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(cc(n1)C1(C)CCNCC1)N(C)C
Isomeric Smiles
c1(nc(nc(c1)C1(CCNCC1)C)C)N(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2338616
LogD (pH = 7.4)
-0.2861414
Log P
2.1903737
Molar Refractivity
71.6129
Polarizability
26.889263
Polar Surface Area
41.05
Rotatable Bonds
2
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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