Molecule

ID:22718

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂O₂
Molecular Mass
290.7448
Exact Mass
290.08220541
Charge
0
InChI
InChI=1S/C15H15ClN2O2/c1-10-2-5-12(17)8-14(10)18-15(19)9-20-13-6-3-11(16)4-7-13/h2-8H,9,17H2,1H3,(H,18,19)
InChIKey
ZFYBWNMEIXWFKT-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1C)COc1ccc(cc1)Cl
Isomeric Smiles
c1(NC(=O)COc2ccc(Cl)cc2)cc(N)ccc1C
Calculated Properties
JChem
Acid pKa
12.587022
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.9937007
LogD (pH = 7.4)
3.0161037
Log P
3.0163999
Molar Refractivity
81.4295
Polarizability
30.24838
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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