Molecule

ID:61467

General Information
Structure
MolImage
Molecular Formula
C₉H₄ClF₃N₂
Molecular Mass
232.5896696
Exact Mass
232.00151048
Charge
0
InChI
InChI=1S/C9H4ClF3N2/c10-8-5-1-2-7(9(11,12)13)15-6(5)3-4-14-8/h1-4H
InChIKey
YLBIPYOXHRQCQD-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc2c1ccc(n2)C(F)(F)F
Isomeric Smiles
c1(ccc2c(n1)ccnc2Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0011454
LogD (pH = 7.4)
3.0011487
Log P
3.0011487
Molar Refractivity
49.2902
Polarizability
19.139198
Polar Surface Area
25.78
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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