Molecule

ID:105675

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N₅O
Molecular Mass
205.21654
Exact Mass
205.09636
Charge
0
InChI
InChI=1S/C9H11N5O/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-15-6/h4-6H,1-3H2,(H2,10,11,12)
InChIKey
UKHMZCMKHPHFOT-UHFFFAOYSA-N
Canonic Smiles
Nc1ncnc2c1ncn2C1CCCO1
Isomeric Smiles
Nc1ncnc2c1ncn2C1CCCO1
Calculated Properties
JChem
LogD (pH = 7.4)
0.15
LogD (pH = 5.5)
0.02
Log P
0.15
Rotatable Bonds
1
H Donor
1
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
5.04
Polar Surface Area
78.85
Polarizability
20.56
Molar Refractivity
54.93
LOG S
-1.76
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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