Molecule

ID:33453

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₄O₂
Molecular Mass
294.7368
Exact Mass
294.08835342
Charge
0
InChI
InChI=1S/C13H14N4O2.ClH/c14-7-11-15-12(19-16-11)13(18)17-6-5-9-3-1-2-4-10(9)8-17;/h1-4H,5-8,14H2;1H
InChIKey
ZYBQOWCVVRYHSR-UHFFFAOYSA-N
Canonic Smiles
NCc1noc(n1)C(=O)N1CCc2c(C1)cccc2.Cl
Isomeric Smiles
c1(nc(no1)CN)C(=O)N1Cc2c(CC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.8361965
LogD (pH = 7.4)
0.6089306
Log P
0.7971063
Molar Refractivity
70.9294
Polarizability
26.07058
Polar Surface Area
85.25
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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