Molecule

ID:86201

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₃ClOS
Molecular Mass
348.84532
Exact Mass
348.03756372
Charge
0
InChI
InChI=1S/C21H13ClOS/c22-14-9-11-15(12-10-14)24-21-18-7-3-1-5-16(18)20(13-23)17-6-2-4-8-19(17)21/h1-13H
InChIKey
GZVXIIRMLOKBHF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c2ccccc2c(c2c1cccc2)Sc1ccc(cc1)Cl
Isomeric Smiles
S(c1c2c(c(c3ccccc13)C=O)cccc2)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.4574957
LogD (pH = 7.4)
6.4574957
Log P
6.4574957
Molar Refractivity
103.0313
Polarizability
41.866756
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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