Molecule

ID:76792

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₂NOS
Molecular Mass
310.19836
Exact Mass
308.97819027
Charge
0
InChI
InChI=1S/C14H9Cl2NOS/c15-8-14(18)17-10-3-1-2-4-12(10)19-13-6-5-9(16)7-11(13)17/h1-7H,8H2
InChIKey
FXCKKLUGQMWBDD-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1c2cc(Cl)ccc2Sc2c1cccc2
Isomeric Smiles
N1(c2c(ccc(c2)Cl)Sc2c1cccc2)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.430816
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.089873
LogD (pH = 7.4)
4.089873
Log P
4.089873
Molar Refractivity
79.9986
Polarizability
30.80108
Polar Surface Area
20.31
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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