Molecule

ID:40257

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₃ClN₂O₃S
Molecular Mass
372.82542
Exact Mass
372.03354097
Charge
0
InChI
InChI=1S/C18H13ClN2O3S/c1-24-18(23)16-15(11-22)17(25-14-9-7-12(19)8-10-14)21(20-16)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey
SLSUJBMKLUZTJC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nn(c(c1C=O)Sc1ccc(cc1)Cl)c1ccccc1
Isomeric Smiles
c1(c(c(nn1c1ccccc1)C(=O)OC)C=O)Sc1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.842979
LogD (pH = 7.4)
4.842979
Log P
4.842979
Molar Refractivity
99.3992
Polarizability
38.25141
Polar Surface Area
61.19
Rotatable Bonds
6
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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