Molecule

ID:101824

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃Cl₂N₃
Molecular Mass
210.10422
Exact Mass
209.04865279
Charge
0
InChI
InChI=1S/C7H11N3.2ClH/c1-8-10-6-7-3-2-4-9-5-7;;/h2-5,8,10H,6H2,1H3;2*1H
InChIKey
ZQNITGOHWKOCEC-UHFFFAOYSA-N
Canonic Smiles
CNNCc1cccnc1.Cl.Cl
Isomeric Smiles
n1cc(CNNC)ccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.36559805
LogD (pH = 7.4)
-0.08470465
Log P
-0.07963752
Molar Refractivity
61.6789
Polarizability
15.966363
Polar Surface Area
36.95
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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