Molecule

ID:17764

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClN₅S
Molecular Mass
265.72202
Exact Mass
265.01889396
Charge
0
InChI
InChI=1S/C10H8ClN5S/c1-5-13-14-10-16(5)15-9(17-10)6-2-3-7(11)8(12)4-6/h2-4H,12H2,1H3
InChIKey
IWMIDQGHCUJTCI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1N)c1nn2c(s1)nnc2C
Isomeric Smiles
c1(c2cc(c(cc2)Cl)N)nn2c(s1)nnc2C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5815983
LogD (pH = 7.4)
1.5816988
Log P
1.5817
Molar Refractivity
100.8728
Polarizability
25.345257
Polar Surface Area
69.1
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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