Molecule

ID:30235

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O₄
Molecular Mass
268.65316
Exact Mass
268.02508446
Charge
0
InChI
InChI=1S/C11H9ClN2O4/c12-6-1-3-7(4-2-6)14-10(17)8(5-9(15)16)13-11(14)18/h1-4,8H,5H2,(H,13,18)(H,15,16)
InChIKey
UDOPITICNQWATG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1NC(=O)N(C1=O)c1ccc(cc1)Cl
Isomeric Smiles
N1(C(=O)NC(C1=O)CC(=O)O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
3.6588676
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.8761265
LogD (pH = 7.4)
-2.3591688
Log P
0.96241105
Molar Refractivity
61.0545
Polarizability
23.78969
Polar Surface Area
86.71
Rotatable Bonds
3
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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