Molecule

ID:55243

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂Cl₂N₆O
Molecular Mass
373.28078
Exact Mass
372.12321471
Charge
0
InChI
InChI=1S/C15H20N6O.2ClH/c22-15(10-20-7-5-16-6-8-20)19-14-3-1-13(2-4-14)9-21-12-17-11-18-21;;/h1-4,11-12,16H,5-10H2,(H,19,22);2*1H
InChIKey
RUCJMEMEINNBDV-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)Cn1ncnc1)CN1CCNCC1.Cl.Cl
Isomeric Smiles
n1cnn(c1)Cc1ccc(NC(=O)CN2CCNCC2)cc1.Cl.Cl
Calculated Properties
JChem
Acid pKa
13.562393
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.988685
LogD (pH = 7.4)
-1.4874569
Log P
0.032339845
Molar Refractivity
97.7955
Polarizability
32.18152
Polar Surface Area
75.08
Rotatable Bonds
5
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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