Molecule

ID:55328

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃Cl₂N₃
Molecular Mass
210.10422
Exact Mass
209.04865279
Charge
0
InChI
InChI=1S/C7H11N3.2ClH/c1-3-9-10(5-1)7-2-4-8-6-7;;/h1,3,5,7-8H,2,4,6H2;2*1H
InChIKey
PZKMEMAZEUPNEB-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)n1cccn1.Cl.Cl
Isomeric Smiles
C1NCC(C1)n1nccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2509534
LogD (pH = 7.4)
-2.9250429
Log P
-0.015095675
Molar Refractivity
50.2524
Polarizability
15.216917
Polar Surface Area
29.85
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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