Molecule

ID:39950

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂ClNO₃
Molecular Mass
313.73508
Exact Mass
313.05057093
Charge
0
InChI
InChI=1S/C17H12ClNO3/c1-22-17(21)15-10-19(12-8-6-11(18)7-9-12)16(20)14-5-3-2-4-13(14)15/h2-10H,1H3
InChIKey
HOOJHRCWPWOAKU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cn(c2ccc(cc2)Cl)c(=O)c2c1cccc2
Isomeric Smiles
c1(cn(c(=O)c2c1cccc2)c1ccc(cc1)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6802235
LogD (pH = 7.4)
3.6802235
Log P
3.6802235
Molar Refractivity
83.6832
Polarizability
32.031715
Polar Surface Area
46.61
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
No Data Available
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Molecule Details
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References
Bioactivity
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