Molecule

ID:85459

General Information
Structure
Molecular Formula
C₁₅H₉Cl₂NO₂
Molecular Mass
306.14346
Exact Mass
305.00103389
Charge
0
InChI
InChI=1S/C15H9Cl2NO2/c16-8-9-3-1-2-4-11(9)14-18-13-7-10(17)5-6-12(13)15(19)20-14/h1-7H,8H2
InChIKey
VCISPKNFQLGMJI-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccccc1c1nc2cc(Cl)ccc2c(=O)o1
Isomeric Smiles
n1c(c2ccccc2CCl)oc(=O)c2c1cc(cc2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5480623
LogD (pH = 7.4)
4.5480623
Log P
4.5480623
Molar Refractivity
80.7823
Polarizability
29.867476
Polar Surface Area
38.66
Rotatable Bonds
2
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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