Molecule

ID:97237

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClFN
Molecular Mass
173.6151632
Exact Mass
173.04075519
Charge
0
InChI
InChI=1S/C8H9ClFN/c1-11(2)8-4-3-6(9)5-7(8)10/h3-5H,1-2H3
InChIKey
TXJLHDSSYMUMFL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)F)N(C)C
Isomeric Smiles
N(c1c(cc(cc1)Cl)F)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8280334
LogD (pH = 7.4)
2.8280363
Log P
2.8280363
Molar Refractivity
45.5078
Polarizability
16.704565
Polar Surface Area
3.24
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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