Molecule

ID:56432

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO₃
Molecular Mass
341.78824
Exact Mass
341.08187106
Charge
0
InChI
InChI=1S/C19H16ClNO3/c1-11-5-4-6-13-14(19(20)22)10-15(21-18(11)13)12-7-8-16(23-2)17(9-12)24-3/h4-10H,1-3H3
InChIKey
GLQGRGRQOXPEGP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OC)c1cc(C(=O)Cl)c2c(n1)c(C)ccc2
Isomeric Smiles
n1c2c(c(cc1c1cc(c(cc1)OC)OC)C(=O)Cl)cccc2C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.5529394
LogD (pH = 7.4)
4.552967
Log P
4.5529675
Molar Refractivity
93.8258
Polarizability
38.452717
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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