Molecule

ID:56489

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₄ClNO₃
Molecular Mass
339.77236
Exact Mass
339.06622099
Charge
0
InChI
InChI=1S/C19H14ClNO3/c1-10-5-11(2)18-13(6-10)14(19(20)22)8-15(21-18)12-3-4-16-17(7-12)24-9-23-16/h3-8H,9H2,1-2H3
InChIKey
CQVTZUHEUNFVID-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(cc(n2)c1ccc2c(c1)OCO2)C(=O)Cl
Isomeric Smiles
n1c2c(c(cc1c1cc3c(OCO3)cc1)C(=O)Cl)cc(cc2C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.004929
LogD (pH = 7.4)
5.0049644
Log P
5.004965
Molar Refractivity
91.7075
Polarizability
37.6344
Polar Surface Area
48.42
Rotatable Bonds
2
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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