Molecule

ID:38284

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClN₃O₂
Molecular Mass
293.74874
Exact Mass
293.09310445
Charge
0
InChI
InChI=1S/C14H15N3O2.ClH/c1-17-6-5-11-12(14(17)18)13(16-19-11)10-4-2-3-9(7-10)8-15;/h2-4,7H,5-6,8,15H2,1H3;1H
InChIKey
SFAQIKDMYKRMJY-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)c1noc2c1C(=O)N(CC2)C.Cl
Isomeric Smiles
c12C(=O)N(CCc2onc1c1cc(CN)ccc1)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.4439518
LogD (pH = 7.4)
-1.3823574
Log P
0.5258159
Molar Refractivity
72.9069
Polarizability
28.258617
Polar Surface Area
72.36
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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