Molecule

ID:7317

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClF₃N
Molecular Mass
209.5960896
Exact Mass
209.02191157
Charge
0
InChI
InChI=1S/C8H7ClF3N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4,13H2
InChIKey
SRHQOQMNBVOXCF-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(c(c1)C(F)(F)F)Cl
Isomeric Smiles
c1c(c(cc(c1)CN)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.38808256
LogD (pH = 7.4)
0.67794645
Log P
2.5809073
Molar Refractivity
45.3099
Polarizability
16.78826
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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