Molecule

ID:38262

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆Cl₂N₄
Molecular Mass
239.14544
Exact Mass
238.07520189
Charge
0
InChI
InChI=1S/C8H14N4.2ClH/c1-12-6-10-11-8(12)7-3-2-4-9-5-7;;/h6-7,9H,2-5H2,1H3;2*1H
InChIKey
JNVKPAUVBSRCKU-UHFFFAOYSA-N
Canonic Smiles
Cn1cnnc1C1CCCNC1.Cl.Cl
Isomeric Smiles
c1(n(cnn1)C)C1CNCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.6844277
LogD (pH = 7.4)
-2.6565342
Log P
-0.49944973
Molar Refractivity
48.844
Polarizability
17.95393
Polar Surface Area
42.74
Rotatable Bonds
1
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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