Molecule

ID:48605

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClN₅
Molecular Mass
241.72054
Exact Mass
241.10942322
Charge
0
InChI
InChI=1S/C10H16ClN5/c1-2-7-5-3-4-6-16(7)10-14-8(11)13-9(12)15-10/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKey
LKFUJFDFDFLJIJ-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1c1nc(N)nc(n1)Cl
Isomeric Smiles
c1(nc(nc(n1)Cl)N)N1C(CC)CCCC1
Calculated Properties
JChem
Acid pKa
15.516708
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
3.1883035
LogD (pH = 7.4)
3.190409
Log P
3.190436
Molar Refractivity
68.126
Polarizability
24.139244
Polar Surface Area
67.93
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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