Molecule

ID:40495

General Information
Structure
Molecular Formula
C₁₂H₁₀ClNO₃S
Molecular Mass
283.7307
Exact Mass
283.00699187
Charge
0
InChI
InChI=1S/C12H10ClNO3S/c1-16-11(15)8-3-2-4-9(5-8)17-7-10-6-14-12(13)18-10/h2-6H,7H2,1H3
InChIKey
YBHZWZXRTSECEX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)OCc1cnc(s1)Cl
Isomeric Smiles
c1(ncc(s1)COc1cc(C(=O)OC)ccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2487688
LogD (pH = 7.4)
3.2487712
Log P
3.2487712
Molar Refractivity
69.1775
Polarizability
26.719185
Polar Surface Area
48.42
Rotatable Bonds
5
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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