Molecule

ID:67197

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O
Molecular Mass
220.65496
Exact Mass
220.0403406
Charge
0
InChI
InChI=1S/C11H9ClN2O/c12-11-13-6-10(7-14-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
XOCCSJLRSSDCLM-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(cn1)OCc1ccccc1
Isomeric Smiles
c1(ncc(cn1)OCc1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5250876
LogD (pH = 7.4)
2.5250876
Log P
2.5250876
Molar Refractivity
59.2967
Polarizability
22.645779
Polar Surface Area
35.01
Rotatable Bonds
3
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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