Molecule

ID:23201

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂O₂
Molecular Mass
290.7448
Exact Mass
290.08220541
Charge
0
InChI
InChI=1S/C15H15ClN2O2/c1-2-20-12-5-3-4-10(8-12)15(19)18-11-6-7-13(16)14(17)9-11/h3-9H,2,17H2,1H3,(H,18,19)
InChIKey
OGZZERCAQUTUCN-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)C(=O)Nc1ccc(c(c1)N)Cl
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)N)c1cc(OCC)ccc1
Calculated Properties
JChem
Acid pKa
12.385959
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.0391164
LogD (pH = 7.4)
3.0393784
Log P
3.039386
Molar Refractivity
82.3085
Polarizability
30.306168
Polar Surface Area
64.35
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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