Molecule

ID:7636

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅ClF₃N
Molecular Mass
231.6016096
Exact Mass
231.00626151
Charge
0
InChI
InChI=1S/C10H5ClF3N/c11-8-3-4-15-9-2-1-6(5-7(8)9)10(12,13)14/h1-5H
InChIKey
FTNQANJWBFKPIP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc2c1cc(cc2)C(F)(F)F
Isomeric Smiles
c1(ccc2c(c1)c(ccn2)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6100676
LogD (pH = 7.4)
3.612759
Log P
3.6127937
Molar Refractivity
50.7578
Polarizability
19.885773
Polar Surface Area
12.89
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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