Molecule

ID:84653

General Information
Structure
Molecular Formula
C₁₀H₆Cl₂N₂O₃S
Molecular Mass
305.13724
Exact Mass
303.94761842
Charge
0
InChI
InChI=1S/C10H6Cl2N2O3S/c11-6-4-13-14(9(15)8(6)12)5-17-10(16)7-2-1-3-18-7/h1-4H,5H2
InChIKey
MCWSFSKEYSGTBM-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccs1)OCn1ncc(c(c1=O)Cl)Cl
Isomeric Smiles
n1(c(=O)c(c(Cl)cn1)Cl)COC(=O)c1cccs1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8204548
LogD (pH = 7.4)
2.8204548
Log P
2.8204548
Molar Refractivity
68.2539
Polarizability
25.74678
Polar Surface Area
58.97
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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