Molecule

ID:61002

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄O
Molecular Mass
208.26024
Exact Mass
208.13241115
Charge
0
InChI
InChI=1S/C10H16N4O/c11-8-6-9(15)14-10(13-8)12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H4,11,12,13,14,15)
InChIKey
WSIYTMGYWKWRES-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(NC2CCCCC2)[nH]c(=O)c1
Isomeric Smiles
c1(nc(cc(=O)[nH]1)N)NC1CCCCC1
Calculated Properties
JChem
Acid pKa
11.308207
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.40503854
LogD (pH = 7.4)
0.78238493
Log P
0.79021776
Molar Refractivity
66.8733
Polarizability
21.67968
Polar Surface Area
79.51
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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