Molecule

ID:86802

General Information
Structure
Molecular Formula
C₁₄H₁₁Cl₂N₃O₂S
Molecular Mass
356.22704
Exact Mass
354.99490297
Charge
0
InChI
InChI=1S/C14H11Cl2N3O2S/c1-8-3-5-9(6-4-8)13(20)21-17-7-10-11(15)18-14(22-2)19-12(10)16/h3-7H,1-2H3
InChIKey
CKCOAOJFXPWOBE-UHFFFAOYSA-N
Canonic Smiles
CSc1nc(Cl)c(c(n1)Cl)/C=N/OC(=O)c1ccc(cc1)C
Isomeric Smiles
n1c(nc(c(c1Cl)/C=N/OC(=O)c1ccc(cc1)C)Cl)SC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.437653
LogD (pH = 7.4)
5.437653
Log P
5.437653
Molar Refractivity
92.4283
Polarizability
33.935337
Polar Surface Area
64.44
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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