Molecule

ID:96022

General Information
Structure
Molecular Formula
C₂₄H₁₈ClF₂N₃O₄
Molecular Mass
485.8672264
Exact Mass
485.09539019
Charge
0
InChI
InChI=1S/C24H17F2N3O4.ClH/c1-2-33-24(32)15-6-8-16(9-7-15)27-20-21(28-12-4-3-5-13-28)23(31)29(22(20)30)17-10-11-18(25)19(26)14-17;/h3-14H,2H2,1H3;1H
InChIKey
ZVWATWNKPRHKBE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)NC1=C([n+]2ccccc2)C(=O)N(C1=O)c1ccc(c(c1)F)F.[Cl-]
Isomeric Smiles
N1(c2cc(c(cc2)F)F)C(=O)C(=C(C1=O)[n+]1ccccc1)Nc1ccc(cc1)C(=O)OCC.[Cl-]
Calculated Properties
JChem
Acid pKa
9.076374
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.9112196
LogD (pH = 7.4)
-0.9197092
Log P
-0.9111101
Molar Refractivity
118.9529
Polarizability
43.407043
Polar Surface Area
79.59
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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