Molecule

ID:51488

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃ClN₂O₃
Molecular Mass
338.82912
Exact Mass
338.13972029
Charge
0
InChI
InChI=1S/C17H23ClN2O3/c1-17(2,3)23-16(22)19-14-5-4-8-20(10-14)15-7-6-13(18)9-12(15)11-21/h6-7,9,11,14H,4-5,8,10H2,1-3H3,(H,19,22)
InChIKey
XTLAVSHUEBPITK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)ccc1N1CCCC(C1)NC(=O)OC(C)(C)C
Isomeric Smiles
N1(c2c(cc(cc2)Cl)C=O)CC(NC(=O)OC(C)(C)C)CCC1
Calculated Properties
JChem
Acid pKa
13.783021
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5584345
LogD (pH = 7.4)
3.5585136
Log P
3.5585148
Molar Refractivity
91.9094
Polarizability
34.83957
Polar Surface Area
58.64
Rotatable Bonds
5
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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