Molecule

ID:55076

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉Cl₃N₂O
Molecular Mass
339.60376
Exact Mass
337.97804596
Charge
0
InChI
InChI=1S/C15H8Cl2N2O.ClH/c16-12-3-1-2-10-11(15(17)20)8-13(19-14(10)12)9-4-6-18-7-5-9;/h1-8H;1H
InChIKey
IQZJPUWIDPILIN-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nc2c1cccc2Cl)c1ccncc1.Cl
Isomeric Smiles
n1c2c(c(cc1c1ccncc1)C(=O)Cl)cccc2Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7228043
LogD (pH = 7.4)
3.7410226
Log P
3.741261
Molar Refractivity
78.5061
Polarizability
32.632652
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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