Molecule

ID:44028

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₃N₂
Molecular Mass
210.1553096
Exact Mass
210.04048283
Charge
0
InChI
InChI=1S/C10H5F3N2/c11-10(12,13)8-4-9-6(1-2-15-9)3-7(8)5-14/h1-4,15H
InChIKey
YMIVDGGJBSXDRI-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc2cc[nH]c2cc1C(F)(F)F
Isomeric Smiles
C(c1c(C#N)cc2c(c1)[nH]cc2)(F)(F)F
Calculated Properties
JChem
Acid pKa
15.855991
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8059525
LogD (pH = 7.4)
2.8059525
Log P
2.8059525
Molar Refractivity
48.8398
Polarizability
18.394596
Polar Surface Area
39.58
Rotatable Bonds
1
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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