Molecule

ID:114242

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁ClN₂O
Molecular Mass
282.72434
Exact Mass
282.05599066
Charge
0
InChI
InChI=1S/C16H11ClN2O/c17-16-11-10-15(18-19-16)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-11H
InChIKey
NKFMLGCMNUVKOR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)c1ccc(cc1)Oc1ccccc1
Isomeric Smiles
n1nc(ccc1c1ccc(Oc2ccccc2)cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.133385
LogD (pH = 7.4)
4.133388
Log P
4.133388
Molar Refractivity
80.6355
Polarizability
31.782183
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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