Molecule

ID:63049

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆Cl₂N₄
Molecular Mass
275.17754
Exact Mass
274.07520189
Charge
0
InChI
InChI=1S/C11H14N4.2ClH/c1-15-11-9(3-2-5-13-11)10(14-15)8-4-6-12-7-8;;/h2-3,5,8,12H,4,6-7H2,1H3;2*1H
InChIKey
NNUDHJBTGKGCRX-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(c2c1nccc2)C1CNCC1.Cl.Cl
Isomeric Smiles
n1c(c2c(n1C)nccc2)C1CNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7225177
LogD (pH = 7.4)
-2.474204
Log P
0.51606023
Molar Refractivity
69.3529
Polarizability
22.928556
Polar Surface Area
42.74
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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