Molecule

ID:61969

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClF₂N
Molecular Mass
253.6750064
Exact Mass
253.04698345
Charge
0
InChI
InChI=1S/C13H10ClF2N/c14-11-7-10(5-6-13(11)16)17-8-9-3-1-2-4-12(9)15/h1-7,17H,8H2
InChIKey
SMJDEMQXUJTDDK-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1CNc1ccc(c(c1)Cl)F
Isomeric Smiles
c1(cc(NCc2c(F)cccc2)ccc1F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.0557137
LogD (pH = 7.4)
4.059892
Log P
4.0599456
Molar Refractivity
66.102
Polarizability
24.160551
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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