Molecule

ID:62867

General Information
Structure
Molecular Formula
C₁₀H₁₇Cl₂N₃
Molecular Mass
250.16808
Exact Mass
249.07995292
Charge
0
InChI
InChI=1S/C10H15N3.2ClH/c1-11-10-6-2-4-9(13-10)8-5-3-7-12-8;;/h2,4,6,8,12H,3,5,7H2,1H3,(H,11,13);2*1H
InChIKey
YWNDHRGWAYNOCM-UHFFFAOYSA-N
Canonic Smiles
CNc1cccc(n1)C1CCCN1.Cl.Cl
Isomeric Smiles
n1c(C2NCCC2)cccc1NC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.0946147
LogD (pH = 7.4)
-0.97749275
Log P
1.0803835
Molar Refractivity
54.4205
Polarizability
20.575796
Polar Surface Area
36.95
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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