Molecule

ID:43767

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇ClN₂O₃
Molecular Mass
308.76008
Exact Mass
308.09277009
Charge
0
InChI
InChI=1S/C15H17ClN2O3/c1-4-21-14(19)12-9(2)18(3)15(20)17-13(12)10-5-7-11(16)8-6-10/h5-8,13H,4H2,1-3H3,(H,17,20)
InChIKey
XHMRHHURCAQZLY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=C(C)N(C(=O)NC1c1ccc(cc1)Cl)C
Isomeric Smiles
C1(=C(N(C(=O)NC1c1ccc(cc1)Cl)C)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
12.60337
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.068023
LogD (pH = 7.4)
2.0680206
Log P
2.0680232
Molar Refractivity
81.1354
Polarizability
30.946016
Polar Surface Area
58.64
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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