Molecule

ID:89362

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃ClN₂O₂
Molecular Mass
300.73962
Exact Mass
300.06655535
Charge
0
InChI
InChI=1S/C16H13ClN2O2/c1-2-21-16(20)15-14(11-6-4-3-5-7-11)18-13-9-8-12(17)10-19(13)15/h3-10H,2H2,1H3
InChIKey
ZSIIKCZWUHINMD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(nc2n1cc(Cl)cc2)c1ccccc1
Isomeric Smiles
n12c(nc(c1C(=O)OCC)c1ccccc1)ccc(c2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6731834
LogD (pH = 7.4)
3.676908
Log P
3.676956
Molar Refractivity
82.1568
Polarizability
32.38173
Polar Surface Area
43.6
Rotatable Bonds
4
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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