Molecule

ID:97002

General Information
Structure
Molecular Formula
C₁₃H₇ClFNS
Molecular Mass
263.7177832
Exact Mass
262.99717613
Charge
0
InChI
InChI=1S/C13H7ClFNS/c14-9-4-6-10(7-5-9)17-13-3-1-2-12(15)11(13)8-16/h1-7H
InChIKey
KFJFXRCXNMCNBN-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(cccc1F)Sc1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)Sc1cccc(c1C#N)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.764838
LogD (pH = 7.4)
4.764838
Log P
4.764838
Molar Refractivity
69.4849
Polarizability
26.319572
Polar Surface Area
23.79
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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