Molecule

ID:55097

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₂N₂O
Molecular Mass
305.1587
Exact Mass
304.01701831
Charge
0
InChI
InChI=1S/C15H9ClN2O.ClH/c16-15(19)11-9-14(13-7-3-4-8-17-13)18-12-6-2-1-5-10(11)12;/h1-9H;1H
InChIKey
IDAUUZHNSMNXDO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nc2c1cccc2)c1ccccn1.Cl
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ncccc1)C(=O)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5218751
LogD (pH = 7.4)
3.5230515
Log P
3.5230665
Molar Refractivity
73.3293
Polarizability
30.789614
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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