Molecule

ID:22861

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇ClN₂O₃
Molecular Mass
320.77078
Exact Mass
320.09277009
Charge
0
InChI
InChI=1S/C16H17ClN2O3/c1-10(22-13-6-3-11(17)4-7-13)16(20)19-14-9-12(18)5-8-15(14)21-2/h3-10H,18H2,1-2H3,(H,19,20)
InChIKey
YEGCSUZEQYFZCY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)C(Oc1ccc(cc1)Cl)C)N
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)C(Oc1ccc(Cl)cc1)C
Calculated Properties
JChem
Acid pKa
11.510329
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.8652005
LogD (pH = 7.4)
2.9133883
Log P
2.9140716
Molar Refractivity
87.3454
Polarizability
32.858345
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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