Molecule

ID:80690

General Information
Structure
Molecular Formula
C₁₀H₁₅N₃O₂
Molecular Mass
209.245
Exact Mass
209.11642674
Charge
0
InChI
InChI=1S/C10H15N3O2/c1-8-9(7-14)10(12(2)11-8)13-3-5-15-6-4-13/h7H,3-6H2,1-2H3
InChIKey
LWYDVSXDKNQUNB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)nn(c1N1CCOCC1)C
Isomeric Smiles
n1(c(c(c(n1)C)C=O)N1CCOCC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.2191113
LogD (pH = 7.4)
0.2237533
Log P
0.2238128
Molar Refractivity
68.8933
Polarizability
21.07022
Polar Surface Area
47.36
Rotatable Bonds
2
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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