Molecule

ID:125009

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O
Molecular Mass
220.65496
Exact Mass
220.0403406
Charge
0
InChI
InChI=1S/C11H9ClN2O/c12-10-6-7-11(15)14(13-10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
YPALKBBWTAXDAO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(=O)n(n1)Cc1ccccc1
Isomeric Smiles
n1(nc(ccc1=O)Cl)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0871224
LogD (pH = 7.4)
2.0871224
Log P
2.0871224
Molar Refractivity
60.2541
Polarizability
22.352005
Polar Surface Area
32.67
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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