Molecule

ID:76403

General Information
Structure
Molecular Formula
C₁₁H₁₅Cl₂N₃
Molecular Mass
260.1629
Exact Mass
259.06430286
Charge
0
InChI
InChI=1S/C11H13N3.2ClH/c12-11(8-14-7-6-13-9-14)10-4-2-1-3-5-10;;/h1-7,9,11H,8,12H2;2*1H
InChIKey
ONLIUHLROTWPLQ-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccccc1)Cn1cncc1.Cl.Cl
Isomeric Smiles
n1(cncc1)CC(c1ccccc1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.396585
LogD (pH = 7.4)
-0.7043887
Log P
1.0657083
Molar Refractivity
56.1421
Polarizability
21.877298
Polar Surface Area
43.84
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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