Molecule

ID:55086

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂Cl₂N₂O
Molecular Mass
319.18528
Exact Mass
318.03266837
Charge
0
InChI
InChI=1S/C16H11ClN2O.ClH/c1-10-4-2-6-12-13(16(17)20)8-14(19-15(10)12)11-5-3-7-18-9-11;/h2-9H,1H3;1H
InChIKey
VTIMRIZAMFULCR-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nc2c1cccc2C)c1cccnc1.Cl
Isomeric Smiles
n1c2c(c(cc1c1cnccc1)C(=O)Cl)cccc2C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.626997
LogD (pH = 7.4)
3.65033
Log P
3.6506376
Molar Refractivity
78.7425
Polarizability
32.549946
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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