Molecule

ID:23169

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇ClN₂O₃
Molecular Mass
320.77078
Exact Mass
320.09277009
Charge
0
InChI
InChI=1S/C16H17ClN2O3/c1-10(22-15-6-4-3-5-14(15)21-2)16(20)19-11-7-8-12(17)13(18)9-11/h3-10H,18H2,1-2H3,(H,19,20)
InChIKey
XUEWQBCUYPFHMB-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OC(C(=O)Nc1ccc(c(c1)N)Cl)C
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)N)C(Oc1c(OC)cccc1)C
Calculated Properties
JChem
Acid pKa
12.690077
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.9137893
LogD (pH = 7.4)
2.9140658
Log P
2.9140716
Molar Refractivity
87.3454
Polarizability
32.866436
Polar Surface Area
73.58
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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