Molecule

ID:44728

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆Cl₂N₆O
Molecular Mass
319.19034
Exact Mass
318.07626452
Charge
0
InChI
InChI=1S/C11H14N6O.2ClH/c1-8-14-10(16-18-8)9-2-3-13-11(15-9)17-6-4-12-5-7-17;;/h2-3,12H,4-7H2,1H3;2*1H
InChIKey
WKVMPUXKJVXMPD-UHFFFAOYSA-N
Canonic Smiles
Cc1onc(n1)c1ccnc(n1)N1CCNCC1.Cl.Cl
Isomeric Smiles
c1(nc(on1)C)c1nc(N2CCNCC2)ncc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.9409281
LogD (pH = 7.4)
-0.27418333
Log P
1.0193138
Molar Refractivity
77.9482
Polarizability
25.038776
Polar Surface Area
79.97
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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