Molecule

ID:31938

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₄O
Molecular Mass
244.29234
Exact Mass
244.13241115
Charge
0
InChI
InChI=1S/C13H16N4O/c1-2-4-11(5-3-1)13-15-12(18-16-13)10-17-8-6-14-7-9-17/h1-5,14H,6-10H2
InChIKey
BZMOIVZLALQBNE-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)Cc1onc(n1)c1ccccc1
Isomeric Smiles
n1c(noc1CN1CCNCC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.5429999
LogD (pH = 7.4)
-0.14223905
Log P
1.6667287
Molar Refractivity
80.7103
Polarizability
27.244385
Polar Surface Area
54.19
Rotatable Bonds
3
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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