Molecule

ID:41403

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂O₂
Molecular Mass
290.7448
Exact Mass
290.08220541
Charge
0
InChI
InChI=1S/C15H15ClN2O2/c16-12-7-4-8-13(9-12)17-15(20)18-14(10-19)11-5-2-1-3-6-11/h1-9,14,19H,10H2,(H2,17,18,20)
InChIKey
LRFFPDRWLKQRRN-UHFFFAOYSA-N
Canonic Smiles
OCC(c1ccccc1)NC(=O)Nc1cccc(c1)Cl
Isomeric Smiles
C(=O)(NC(c1ccccc1)CO)Nc1cc(Cl)ccc1
Calculated Properties
JChem
Acid pKa
13.178848
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
2.7992697
LogD (pH = 7.4)
2.799269
Log P
2.7992697
Molar Refractivity
79.8743
Polarizability
30.26715
Polar Surface Area
61.36
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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