Molecule

ID:55083

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉Cl₃N₂O
Molecular Mass
339.60376
Exact Mass
337.97804596
Charge
0
InChI
InChI=1S/C15H8Cl2N2O.ClH/c16-12-5-1-4-10-11(15(17)20)7-13(19-14(10)12)9-3-2-6-18-8-9;/h1-8H;1H
InChIKey
URCDPPNBERIFFP-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nc2c1cccc2Cl)c1cccnc1.Cl
Isomeric Smiles
n1c2c(c(cc1c1cnccc1)C(=O)Cl)cccc2Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7179444
LogD (pH = 7.4)
3.7409575
Log P
3.741261
Molar Refractivity
78.5061
Polarizability
32.634987
Polar Surface Area
42.85
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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