Molecule

ID:55206

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃Cl₂N₃
Molecular Mass
210.10422
Exact Mass
209.04865279
Charge
0
InChI
InChI=1S/C7H11N3.2ClH/c8-5-4-6-2-1-3-7(9)10-6;;/h1-3H,4-5,8H2,(H2,9,10);2*1H
InChIKey
ZJLOVRMTTISFDQ-UHFFFAOYSA-N
Canonic Smiles
NCCc1cccc(n1)N.Cl.Cl
Isomeric Smiles
c1c(nc(cc1)CCN)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.4706042
LogD (pH = 7.4)
-2.1989818
Log P
-0.034641974
Molar Refractivity
41.5656
Polarizability
15.702029
Polar Surface Area
64.93
Rotatable Bonds
2
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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