Molecule

ID:114551

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₅
Molecular Mass
207.27548
Exact Mass
207.14839557
Charge
0
InChI
InChI=1S/C10H17N5/c1-8-7-9(11)13-10(12-8)15-5-3-14(2)4-6-15/h7H,3-6H2,1-2H3,(H2,11,12,13)
InChIKey
DJOBNETYAZXHOH-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1nc(C)cc(n1)N
Isomeric Smiles
c1(nc(cc(n1)C)N)N1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.534298
LogD (pH = 7.4)
0.17850368
Log P
0.5805867
Molar Refractivity
62.7524
Polarizability
22.584272
Polar Surface Area
58.28
Rotatable Bonds
1
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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