Molecule

ID:56533

General Information
Structure
MolImage
Molecular Formula
C₁₆H₉Cl₂NO
Molecular Mass
302.15476
Exact Mass
301.00611927
Charge
0
InChI
InChI=1S/C16H9Cl2NO/c17-13-8-4-7-11-12(16(18)20)9-14(19-15(11)13)10-5-2-1-3-6-10/h1-9H
InChIKey
QVXMKYLRSHATRW-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nc2c1cccc2Cl)c1ccccc1
Isomeric Smiles
n1c2c(c(cc1c1ccccc1)C(=O)Cl)cccc2Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.9589324
LogD (pH = 7.4)
4.9589334
Log P
4.9589334
Molar Refractivity
80.663
Polarizability
33.545982
Polar Surface Area
29.96
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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