Molecule

ID:115134

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N₅O
Molecular Mass
207.23242
Exact Mass
207.11201006
Charge
0
InChI
InChI=1S/C9H13N5O/c1-9(2,3)14-7-6(4-12-14)8(15)13(10)5-11-7/h4-5H,10H2,1-3H3
InChIKey
PZAJUOTWFKOSCD-UHFFFAOYSA-N
Canonic Smiles
Nn1cnc2c(c1=O)cnn2C(C)(C)C
Isomeric Smiles
c12c(c(=O)n(cn2)N)cnn1C(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.0010316946
LogD (pH = 7.4)
-6.2833086E-4
Log P
-6.2318565E-4
Molar Refractivity
69.3458
Polarizability
20.56366
Polar Surface Area
76.51
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
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Molecule Details
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References
Bioactivity
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