Molecule

ID:62227

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀Cl₂N₄O
Molecular Mass
307.2194
Exact Mass
306.10141664
Charge
0
InChI
InChI=1S/C12H18N4O.2ClH/c1-9-7-15-11(8-14-9)12(17)16-10-3-2-5-13-6-4-10;;/h7-8,10,13H,2-6H2,1H3,(H,16,17);2*1H
InChIKey
KANCGGURHACMAZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ncc(nc1)C(=O)NC1CCNCCC1.Cl.Cl
Isomeric Smiles
C(=O)(c1ncc(nc1)C)NC1CCNCCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
13.982398
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.9413612
LogD (pH = 7.4)
-3.4939468
Log P
-0.7094413
Molar Refractivity
64.7398
Polarizability
24.997238
Polar Surface Area
66.91
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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