Molecule

ID:41062

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉Cl₂NO₂
Molecular Mass
306.14346
Exact Mass
305.00103389
Charge
0
InChI
InChI=1S/C15H9Cl2NO2/c16-11-5-3-6-12(17)10(11)8-18-13-7-2-1-4-9(13)14(19)15(18)20/h1-7H,8H2
InChIKey
DGUYNCOMHJNSBV-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2N(C1=O)Cc1c(Cl)cccc1Cl
Isomeric Smiles
N1(C(=O)C(=O)c2c1cccc2)Cc1c(Cl)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.748172
LogD (pH = 7.4)
3.748172
Log P
3.748172
Molar Refractivity
77.8131
Polarizability
29.74202
Polar Surface Area
37.38
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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