Molecule

ID:60809

General Information
Structure
Molecular Formula
C₁₃H₁₇N₅O₂
Molecular Mass
275.30638
Exact Mass
275.13822481
Charge
0
InChI
InChI=1S/C13H17N5O2/c1-5-20-12(19)10-9(4)17-18(11(10)14)13-15-7(2)6-8(3)16-13/h6H,5,14H2,1-4H3
InChIKey
IKNIRPGJQWIOLK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(C)nn(c1N)c1nc(C)cc(n1)C
Isomeric Smiles
n1(c(c(c(n1)C)C(=O)OCC)N)c1nc(cc(n1)C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.4786443
LogD (pH = 7.4)
1.4790947
Log P
1.4791005
Molar Refractivity
75.5321
Polarizability
27.701838
Polar Surface Area
95.92
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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