Molecule

ID:60427

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₁ClN₂O₃
Molecular Mass
326.73384
Exact Mass
326.0458199
Charge
0
InChI
InChI=1S/C17H11ClN2O3/c18-10-5-6-14-13(9-10)19-15(23-14)7-8-20-16(21)11-3-1-2-4-12(11)17(20)22/h1-6,9H,7-8H2
InChIKey
DFOYRDQYLAOQIN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)nc(o2)CCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CCc1nc2c(o1)ccc(c2)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9024153
LogD (pH = 7.4)
2.9024158
Log P
2.9024158
Molar Refractivity
84.3204
Polarizability
32.792065
Polar Surface Area
63.41
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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