Molecule

ID:61247

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClN₅
Molecular Mass
289.76334
Exact Mass
289.10942322
Charge
0
InChI
InChI=1S/C14H16ClN5/c1-9-7-10(2)19-14(18-9)20-13(16)17-8-11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3,(H3,16,17,18,19,20)
InChIKey
FUUVRUMRKWIERM-UHFFFAOYSA-N
Canonic Smiles
N=C(Nc1nc(C)cc(n1)C)NCc1ccc(cc1)Cl
Isomeric Smiles
c1c(nc(nc1C)NC(=N)NCc1ccc(cc1)Cl)C
Calculated Properties
JChem
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.4759336
LogD (pH = 7.4)
1.9760177
Log P
2.571382
Molar Refractivity
92.1771
Polarizability
30.211445
Polar Surface Area
73.69
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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