Molecule
ID:86199
General Information
Molecular Formula
C₁₄H₁₀Cl₃NO₃
Molecular Mass
346.5931
Exact Mass
344.97262623
Charge
0
InChI
InChI=1S/C14H10Cl3NO3/c1-21-13(20)9-5-2-3-6-10(9)18-8-4-7-11(18)12(19)14(15,16)17/h2-8H,1H3
InChIKey
TYOBBEGQYNJYHO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1n1cccc1C(=O)C(Cl)(Cl)Cl
Isomeric Smiles
n1(c2ccccc2C(=O)OC)c(ccc1)C(=O)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4526
LogD (pH = 7.4)
3.4526
Log P
3.4526
Molar Refractivity
93.6306
Polarizability
32.09119
Polar Surface Area
48.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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