Molecule

ID:22652

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂O₂
Molecular Mass
290.7448
Exact Mass
290.08220541
Charge
0
InChI
InChI=1S/C15H15ClN2O2/c1-10(20-14-7-5-11(16)6-8-14)15(19)18-13-4-2-3-12(17)9-13/h2-10H,17H2,1H3,(H,18,19)
InChIKey
UFJQUPSWDTUELY-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Oc1ccc(cc1)Cl)C)Nc1cccc(c1)N
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)C(Oc1ccc(Cl)cc1)C
Calculated Properties
JChem
Acid pKa
12.71595
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.0627522
LogD (pH = 7.4)
3.0716264
Log P
3.0717428
Molar Refractivity
80.8822
Polarizability
30.324411
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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