Molecule

ID:97859

General Information
Structure
MolImage
Molecular Formula
C₁₅H₇ClF₃N₃
Molecular Mass
321.6843896
Exact Mass
321.02805958
Charge
0
InChI
InChI=1S/C15H7ClF3N3/c16-12-5-10(15(17,18)19)7-21-14(12)22-8-9(6-20)11-3-1-2-4-13(11)22/h1-5,7-8H
InChIKey
MODHLNQNVFFSNO-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cn(c2c1cccc2)c1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
N#Cc1cn(c2ncc(cc2Cl)C(F)(F)F)c2c1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2588463
LogD (pH = 7.4)
4.258899
Log P
4.2589
Molar Refractivity
86.7948
Polarizability
29.00707
Polar Surface Area
41.61
Rotatable Bonds
2
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
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