Molecule

ID:24541

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀Cl₂N₄
Molecular Mass
221.0871
Exact Mass
220.0282517
Charge
0
InChI
InChI=1S/C7H8N4.2ClH/c8-4-6-5-11-3-1-2-9-7(11)10-6;;/h1-3,5H,4,8H2;2*1H
InChIKey
IRDVONLYTFXFAY-UHFFFAOYSA-N
Canonic Smiles
NCc1cn2c(n1)nccc2.Cl.Cl
Isomeric Smiles
c12nc(cn1cccn2)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.720832
LogD (pH = 7.4)
-2.1492844
Log P
-0.98546475
Molar Refractivity
42.7408
Polarizability
15.770879
Polar Surface Area
56.21
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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