Molecule

ID:124452

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉ClFN₃O₂
Molecular Mass
305.6915632
Exact Mass
305.03673244
Charge
0
InChI
InChI=1S/C14H9ClFN3O2/c15-11-4-3-9(16)7-12(11)19-13(18-5-1-2-6-18)10(8-17-19)14(20)21/h1-8H,(H,20,21)
InChIKey
MXZVKGHBOSGEAX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)n1ncc(c1n1cccc1)C(=O)O)Cl
Isomeric Smiles
n1(c(c(cn1)C(=O)O)n1cccc1)c1cc(ccc1Cl)F
Calculated Properties
JChem
Acid pKa
3.4354014
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5303736
LogD (pH = 7.4)
-0.8808793
Log P
2.4394138
Molar Refractivity
85.7028
Polarizability
28.67238
Polar Surface Area
60.05
Rotatable Bonds
3
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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