Molecule

ID:54610

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O₂
Molecular Mass
276.71822
Exact Mass
276.06655535
Charge
0
InChI
InChI=1S/C14H13ClN2O2/c1-19-13-7-6-9(8-11(13)15)17-14(18)10-4-2-3-5-12(10)16/h2-8H,16H2,1H3,(H,17,18)
InChIKey
KOJDDINGDKNIRH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Cl)NC(=O)c1ccccc1N
Isomeric Smiles
C(=O)(c1c(N)cccc1)Nc1cc(c(cc1)OC)Cl
Calculated Properties
JChem
Acid pKa
11.493228
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.3324203
LogD (pH = 7.4)
3.332543
Log P
3.3325782
Molar Refractivity
77.5599
Polarizability
28.491041
Polar Surface Area
64.35
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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