Molecule

ID:86748

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂N₂O₃
Molecular Mass
273.07224
Exact Mass
271.97554742
Charge
0
InChI
InChI=1S/C10H6Cl2N2O3/c1-2-3-17-10(16)14-9(15)7-4-6(11)5-13-8(7)12/h1,4-5H,3H2,(H,14,15,16)
InChIKey
KBAUXZZCUWBBMZ-UHFFFAOYSA-N
Canonic Smiles
C#CCOC(=O)NC(=O)c1cc(Cl)cnc1Cl
Isomeric Smiles
N(C(=O)c1c(ncc(c1)Cl)Cl)C(=O)OCC#C
Calculated Properties
JChem
Acid pKa
5.722203
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6691823
LogD (pH = 7.4)
0.3718601
Log P
1.8704627
Molar Refractivity
62.4201
Polarizability
23.374887
Polar Surface Area
68.29
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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