Molecule

ID:60987

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄O
Molecular Mass
208.26024
Exact Mass
208.13241115
Charge
0
InChI
InChI=1S/C10H16N4O/c1-7-2-4-14(5-3-7)10-12-8(11)6-9(15)13-10/h6-7H,2-5H2,1H3,(H3,11,12,13,15)
InChIKey
KCPIDSPCRSTIFH-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)c1nc(N)cc(=O)[nH]1
Isomeric Smiles
c1(nc(cc(=O)[nH]1)N)N1CCC(CC1)C
Calculated Properties
JChem
Acid pKa
11.271877
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.045179926
LogD (pH = 7.4)
0.38085166
Log P
0.39030853
Molar Refractivity
67.8444
Polarizability
21.67968
Polar Surface Area
70.72
Rotatable Bonds
1
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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