Molecule

ID:15682

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂N₃
Molecular Mass
260.1629
Exact Mass
259.06430286
Charge
0
InChI
InChI=1S/C11H13N3.2ClH/c1-8-6-9(2)14(13-8)11-5-3-4-10(12)7-11;;/h3-7H,12H2,1-2H3;2*1H
InChIKey
HUPFSCDVXJDIQD-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)n1nc(cc1C)C.Cl.Cl
Isomeric Smiles
c1c(cc(cc1)n1nc(cc1C)C)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5185587
LogD (pH = 7.4)
1.5605084
Log P
1.5610698
Molar Refractivity
58.8613
Polarizability
22.090141
Polar Surface Area
43.84
Rotatable Bonds
1
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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