Molecule

ID:88440

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂O₂
Molecular Mass
160.5584
Exact Mass
160.00395509
Charge
0
InChI
InChI=1S/C5H5ClN2O2/c1-10-3-2-7-8-5(9)4(3)6/h2H,1H3,(H,8,9)
InChIKey
SUZFURZANOKZBL-UHFFFAOYSA-N
Canonic Smiles
COc1cn[nH]c(=O)c1Cl
Isomeric Smiles
n1cc(c(c(=O)[nH]1)Cl)OC
Calculated Properties
JChem
Acid pKa
8.96679
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.026315352
LogD (pH = 7.4)
-0.036462273
Log P
-0.026184034
Molar Refractivity
37.4708
Polarizability
13.618754
Polar Surface Area
50.69
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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