Molecule

ID:40868

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁F₃N₄O₂
Molecular Mass
336.2686496
Exact Mass
336.08341027
Charge
0
InChI
InChI=1S/C15H11F3N4O2/c1-7-11(8-3-2-4-9(5-8)15(16,17)18)13-20-6-10(14(23)24)12(19)22(13)21-7/h2-6H,19H2,1H3,(H,23,24)
InChIKey
VFCQYZIFTWAWJV-UHFFFAOYSA-N
Canonic Smiles
Cc1nn2c(c1c1cccc(c1)C(F)(F)F)ncc(c2N)C(=O)O
Isomeric Smiles
n12c(c(c(n2)C)c2cc(ccc2)C(F)(F)F)ncc(c1N)C(=O)O
Calculated Properties
JChem
Acid pKa
4.3240643
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.6530445
LogD (pH = 7.4)
-0.08440507
Log P
2.8773646
Molar Refractivity
90.6849
Polarizability
29.708534
Polar Surface Area
93.51
Rotatable Bonds
3
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
Navigation
7-amino-2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid|7-Amino-2-methyl-3-[3-(trifluoromethyl)phenyl]-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid|7-amino-2-methyl-... | Molfinder