Molecule

ID:90140

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Cl₂NO₂
Molecular Mass
244.07408
Exact Mass
242.98538383
Charge
0
InChI
InChI=1S/C10H7Cl2NO2/c11-6-1-2-7(8(12)3-6)10-9(4-14)13-5-15-10/h1-3,5,14H,4H2
InChIKey
XWBSXYDCPBBFEK-UHFFFAOYSA-N
Canonic Smiles
OCc1ncoc1c1ccc(cc1Cl)Cl
Isomeric Smiles
Clc1c(ccc(c1)Cl)c1c(nco1)CO
Calculated Properties
JChem
Acid pKa
14.199473
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0045745
LogD (pH = 7.4)
2.004575
Log P
2.0045753
Molar Refractivity
57.6844
Polarizability
23.510824
Polar Surface Area
46.26
Rotatable Bonds
2
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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