Molecule

ID:12562

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂Cl₂N₄
Molecular Mass
317.25728
Exact Mass
316.12215208
Charge
0
InChI
InChI=1S/C14H20N4.2ClH/c15-14-16-12-6-2-3-7-13(12)18(14)11-10-17-8-4-1-5-9-17;;/h2-3,6-7H,1,4-5,8-11H2,(H2,15,16);2*1H
InChIKey
RHUKXVGXBCUFIV-UHFFFAOYSA-N
Canonic Smiles
Nc1nc2c(n1CCN1CCCCC1)cccc2.Cl.Cl
Isomeric Smiles
c1ccc2c(c1)nc(n2CCN1CCCCC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2957838
LogD (pH = 7.4)
0.038633846
Log P
2.2075148
Molar Refractivity
74.2
Polarizability
29.422405
Polar Surface Area
47.08
Rotatable Bonds
3
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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