Molecule

ID:67000

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁Cl₂N₃
Molecular Mass
208.08834
Exact Mass
207.03300273
Charge
0
InChI
InChI=1S/C7H9N3.2ClH/c1-2-8-3-6-4-9-5-10-7(1)6;;/h4-5,8H,1-3H2;2*1H
InChIKey
WLSBRWTXCPUJMN-UHFFFAOYSA-N
Canonic Smiles
C1NCc2c(C1)ncnc2.Cl.Cl
Isomeric Smiles
c1nc2c(cn1)CNCC2.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.1087432
LogD (pH = 7.4)
-1.4276527
Log P
-0.3222038
Molar Refractivity
38.7021
Polarizability
14.776032
Polar Surface Area
37.81
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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