Molecule

ID:32551

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Cl₂N₃
Molecular Mass
246.13632
Exact Mass
245.04865279
Charge
0
InChI
InChI=1S/C10H12ClN3.ClH/c1-2-5-14-9-3-4-12-7-8(9)13-10(14)6-11;/h3-4,7H,2,5-6H2,1H3;1H
InChIKey
BSZJVDKZQVQCOZ-UHFFFAOYSA-N
Canonic Smiles
CCCn1c(CCl)nc2c1ccnc2.Cl
Isomeric Smiles
c1ncc2c(c1)n(c(n2)CCl)CCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8047738
LogD (pH = 7.4)
1.8052406
Log P
1.8052465
Molar Refractivity
56.1748
Polarizability
22.856298
Polar Surface Area
30.71
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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