Molecule

ID:84303

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClNO₄PS
Molecular Mass
293.663821
Exact Mass
292.96784308
Charge
0
InChI
InChI=1S/C9H9ClNO4PS/c1-12-16(17,13-2)15-9-7-5-6(10)3-4-8(7)14-11-9/h3-5H,1-2H3
InChIKey
FFCYVLPRNWAGQE-UHFFFAOYSA-N
Canonic Smiles
COP(=S)(Oc1noc2c1cc(Cl)cc2)OC
Isomeric Smiles
n1c(c2c(ccc(c2)Cl)o1)OP(=S)(OC)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.243532
LogD (pH = 7.4)
3.243532
Log P
3.243532
Molar Refractivity
68.7553
Polarizability
28.19686
Polar Surface Area
53.72
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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