Molecule

ID:65653

General Information
Structure
Molecular Formula
C₁₃H₇ClFIN₂O₂S
Molecular Mass
436.6277532
Exact Mass
435.89455237
Charge
0
InChI
InChI=1S/C13H7ClFIN2O2S/c14-12-9(15)6-17-13-11(12)10(16)7-18(13)21(19,20)8-4-2-1-3-5-8/h1-7H
InChIKey
UCNMDGJGCWPQLN-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc2c(c1Cl)c(I)cn2S(=O)(=O)c1ccccc1
Isomeric Smiles
c1(cnc2c(c1Cl)c(cn2S(=O)(=O)c1ccccc1)I)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8268626
LogD (pH = 7.4)
3.8268626
Log P
3.8268626
Molar Refractivity
86.3442
Polarizability
34.6482
Polar Surface Area
51.96
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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