Molecule

ID:56611

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇Cl₂NOS
Molecular Mass
308.18248
Exact Mass
306.96254021
Charge
0
InChI
InChI=1S/C14H7Cl2NOS/c15-10-4-1-3-8-9(14(16)18)7-11(17-13(8)10)12-5-2-6-19-12/h1-7H
InChIKey
LUTIDETXSKYGJJ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nc2c1cccc2Cl)c1cccs1
Isomeric Smiles
n1c2c(c(cc1c1sccc1)C(=O)Cl)cccc2Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.736081
LogD (pH = 7.4)
4.7360816
Log P
4.7360816
Molar Refractivity
77.5529
Polarizability
32.190113
Polar Surface Area
29.96
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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