Molecule

ID:80646

General Information
Structure
Molecular Formula
C₁₀H₉ClN₂O₂S
Molecular Mass
256.70866
Exact Mass
256.00732622
Charge
0
InChI
InChI=1S/C10H9ClN2O2S/c1-8-10(16(11,14)15)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
IRJCRNZTDRODFQ-UHFFFAOYSA-N
Canonic Smiles
Cc1n(ncc1S(=O)(=O)Cl)c1ccccc1
Isomeric Smiles
S(=O)(=O)(c1c(n(c2ccccc2)nc1)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2049246
LogD (pH = 7.4)
2.2049286
Log P
2.2049286
Molar Refractivity
63.7636
Polarizability
25.228962
Polar Surface Area
51.96
Rotatable Bonds
2
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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