Molecule

ID:115327

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₃O₃-
Molecular Mass
266.66046
Exact Mass
266.03324384
Charge
-1
InChI
InChI=1S/C11H10ClN3O3/c1-18-11(17)9-10(16)15(14-13-9)6-7-2-4-8(12)5-3-7/h2-5,16H,6H2,1H3/p-1
InChIKey
PKZKSBXNLADTIE-UHFFFAOYSA-M
Canonic Smiles
COC(=O)c1nnn(c1[O-])Cc1ccc(cc1)Cl
Isomeric Smiles
c1(c(n(nn1)Cc1ccc(Cl)cc1)[O-])C(=O)OC
Calculated Properties
JChem
Acid pKa
5.482563
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.686036
LogD (pH = 7.4)
1.7699379
Log P
2.973801
Molar Refractivity
86.1736
Polarizability
24.381388
Polar Surface Area
80.07
Rotatable Bonds
4
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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