Molecule

ID:114379

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClN₅
Molecular Mass
231.64114
Exact Mass
231.0311729
Charge
0
InChI
InChI=1S/C10H6ClN5/c11-8-3-4-9-13-14-10(16(9)15-8)7-2-1-5-12-6-7/h1-6H
InChIKey
APXVJDJWZWKXIT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(n1)c(nn2)c1cccnc1
Isomeric Smiles
n12c(nnc1ccc(n2)Cl)c1cnccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3150537
LogD (pH = 7.4)
1.3237287
Log P
1.3238406
Molar Refractivity
82.8006
Polarizability
22.853012
Polar Surface Area
55.97
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
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Molecule Details
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References
Bioactivity
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