Molecule

ID:94479

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClFN
Molecular Mass
209.6472632
Exact Mass
209.04075519
Charge
0
InChI
InChI=1S/C11H9ClFN/c1-6-3-4-9(13)8-5-7(2)11(12)14-10(6)8/h3-5H,1-2H3
InChIKey
VHZSLPPYDBJXMQ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2c(C)ccc(c2cc1C)F
Isomeric Smiles
n1c(c(cc2c1c(ccc2F)C)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.124661
LogD (pH = 7.4)
4.124667
Log P
4.124667
Molar Refractivity
56.1442
Polarizability
22.046137
Polar Surface Area
12.89
Rotatable Bonds
0
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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