Molecule

ID:43818

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅ClN₂O₂
Molecular Mass
326.7769
Exact Mass
326.08220541
Charge
0
InChI
InChI=1S/C18H15ClN2O2/c1-22-15-9-7-13(8-10-15)12-23-17-11-16(19)20-18(21-17)14-5-3-2-4-6-14/h2-11H,12H2,1H3
InChIKey
RVCLRWUKMWCGIB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)COc1cc(Cl)nc(n1)c1ccccc1
Isomeric Smiles
c1(nc(cc(n1)Cl)OCc1ccc(cc1)OC)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.2156835
LogD (pH = 7.4)
5.215698
Log P
5.215698
Molar Refractivity
101.852
Polarizability
35.37695
Polar Surface Area
44.24
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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