Molecule

ID:55876

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇Cl₂N₃
Molecular Mass
262.17878
Exact Mass
261.07995292
Charge
0
InChI
InChI=1S/C11H15N3.2ClH/c1-3-14-10-7-5-4-6-9(10)13-11(14)8(2)12;;/h4-8H,3,12H2,1-2H3;2*1H
InChIKey
NVISELVYMBVGPG-UHFFFAOYSA-N
Canonic Smiles
CCn1c(nc2c1cccc2)C(N)C.Cl.Cl
Isomeric Smiles
c1(nc2c(n1CC)cccc2)C(N)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0149308
LogD (pH = 7.4)
0.62920016
Log P
1.6076871
Molar Refractivity
56.9081
Polarizability
23.516598
Polar Surface Area
43.84
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
No Data Available
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Molecule Details
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References
Bioactivity
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