Molecule

ID:51334

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClF₃N₂
Molecular Mass
220.5789696
Exact Mass
220.00151048
Charge
0
InChI
InChI=1S/C8H4ClF3N2/c9-6-3-13-7-2-1-5(4-14(6)7)8(10,11)12/h1-4H
InChIKey
YTENKTQBNUJPQP-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc2n(c1)c(Cl)cn2)(F)F
Isomeric Smiles
n12cc(C(F)(F)F)ccc1ncc2Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7789726
LogD (pH = 7.4)
1.9535701
Log P
1.9564532
Molar Refractivity
46.716
Polarizability
16.551262
Polar Surface Area
17.3
Rotatable Bonds
1
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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