Molecule

ID:111800

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₇N₅
Molecular Mass
265.39768
Exact Mass
265.22664589
Charge
0
InChI
InChI=1S/C14H27N5/c1-2-3-4-5-6-7-8-9-10-11-12-17-13(15)19-14(16)18-12/h2-11H2,1H3,(H4,15,16,17,18,19)
InChIKey
MLCIKWISJBFZKS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCc1nc(N)nc(n1)N
Isomeric Smiles
CCCCCCCCCCCc1nc(N)nc(N)n1
Calculated Properties
JChem
Acid pKa
15.7950945
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
3.0664933
LogD (pH = 7.4)
4.3003545
Log P
4.4325833
Molar Refractivity
82.4747
Polarizability
30.102581
Polar Surface Area
90.71
Rotatable Bonds
10
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
References
Bioactivity
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