Molecule

ID:29173

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀Cl₂FN
Molecular Mass
270.1296032
Exact Mass
269.01743291
Charge
0
InChI
InChI=1S/C13H10Cl2FN/c14-10-5-9(6-11(15)7-10)8-17-13-4-2-1-3-12(13)16/h1-7,17H,8H2
InChIKey
QTQWAPCUILKBLL-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(CNc2ccccc2F)cc(c1)Cl
Isomeric Smiles
N(c1c(F)cccc1)Cc1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
16.306978
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.5209436
LogD (pH = 7.4)
4.521284
Log P
4.5212884
Molar Refractivity
70.6904
Polarizability
26.322578
Polar Surface Area
12.03
Rotatable Bonds
3
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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