Molecule

ID:40223

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₄
Molecular Mass
218.64238
Exact Mass
218.03592392
Charge
0
InChI
InChI=1S/C10H7ClN4/c1-6-13-14-10-9(11)12-7-4-2-3-5-8(7)15(6)10/h2-5H,1H3
InChIKey
KJXIBZROUGENCF-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2ccccc2n2c1nnc2C
Isomeric Smiles
c12n(c(nn1)C)c1c(nc2Cl)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9333447
LogD (pH = 7.4)
0.9334389
Log P
0.93344015
Molar Refractivity
60.2582
Polarizability
22.75198
Polar Surface Area
43.08
Rotatable Bonds
0
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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