Molecule

ID:133693

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄Cl₂N₄
Molecular Mass
319.27316
Exact Mass
318.13780215
Charge
0
InChI
InChI=1S/C14H22N4.2ClH/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12;;/h9-10,13H,2-8H2,1H3,(H2,15,16,17);2*1H/t10-,13-;;/m1../s1
InChIKey
WDEMLQIGYYLRRX-OWVUFADGSA-N
Canonic Smiles
CCCN1CCC[C@H]2[C@H]1Cc1cnc(nc1C2)N.Cl.Cl
Isomeric Smiles
CCCN1CCC[C@H]2[C@H]1Cc1cnc(nc1C2)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
17.359142
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.6403475
LogD (pH = 7.4)
-0.41390994
Log P
1.7631327
Molar Refractivity
74.437
Polarizability
28.005344
Polar Surface Area
55.04
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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