Molecule

ID:30827

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂N₃
Molecular Mass
260.1629
Exact Mass
259.06430286
Charge
0
InChI
InChI=1S/C11H13N3.2ClH/c1-9-13-5-6-14(9)8-10-3-2-4-11(12)7-10;;/h2-7H,8,12H2,1H3;2*1H
InChIKey
KHNRCMBPCPHFJG-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)Cn1ccnc1C.Cl.Cl
Isomeric Smiles
n1(c(ncc1)C)Cc1cc(N)ccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.059266906
LogD (pH = 7.4)
0.86607075
Log P
1.0970638
Molar Refractivity
57.6632
Polarizability
21.405645
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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