Molecule

ID:56339

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄ClNO₃
Molecular Mass
327.76166
Exact Mass
327.06622099
Charge
0
InChI
InChI=1S/C18H14ClNO3/c1-22-16-8-7-11(9-17(16)23-2)15-10-13(18(19)21)12-5-3-4-6-14(12)20-15/h3-10H,1-2H3
InChIKey
NCJWOQWMURNTIU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OC)c1nc2ccccc2c(c1)C(=O)Cl
Isomeric Smiles
c1(cc(nc2c1cccc2)c1cc(c(cc1)OC)OC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.0395174
LogD (pH = 7.4)
4.039546
Log P
4.039546
Molar Refractivity
88.7846
Polarizability
36.687366
Polar Surface Area
48.42
Rotatable Bonds
4
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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