Molecule

ID:39765

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClN₂O₂
Molecular Mass
262.69164
Exact Mass
262.05090528
Charge
0
InChI
InChI=1S/C13H11ClN2O2/c1-2-18-13(17)10-8-15-12(16-11(10)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey
VXWYTPARKVGWFX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc(nc1Cl)c1ccccc1
Isomeric Smiles
n1c(c(C(=O)OCC)cnc1c1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.660901
LogD (pH = 7.4)
3.6609035
Log P
3.6609037
Molar Refractivity
80.7734
Polarizability
27.044088
Polar Surface Area
52.08
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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