Molecule

ID:85950

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClN₅O₂S
Molecular Mass
359.7902
Exact Mass
359.02437327
Charge
0
InChI
InChI=1S/C15H10ClN5O2S/c16-13-11(2-1-7-18-13)15(22)23-20-14(17)10-5-3-9(4-6-10)12-8-24-21-19-12/h1-8H,(H2,17,20)
InChIKey
ZPQMTDQFQYPEML-UHFFFAOYSA-N
Canonic Smiles
N/C(=N\OC(=O)c1cccnc1Cl)/c1ccc(cc1)c1csnn1
Isomeric Smiles
n1nc(cs1)c1ccc(cc1)/C(=N/OC(=O)c1cccnc1Cl)/N
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
3.3126404
LogD (pH = 7.4)
3.3159208
Log P
3.3159628
Molar Refractivity
91.6736
Polarizability
35.17185
Polar Surface Area
103.35
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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