Molecule

ID:28647

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈ClNOS
Molecular Mass
273.73742
Exact Mass
273.00151256
Charge
0
InChI
InChI=1S/C14H8ClNOS/c15-13(17)9-4-3-5-10(8-9)14-16-11-6-1-2-7-12(11)18-14/h1-8H
InChIKey
IRXWMHBOINRNQT-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccc(c1)c1nc2c(s1)cccc2
Isomeric Smiles
c1(nc2c(s1)cccc2)c1cc(C(=O)Cl)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.329021
LogD (pH = 7.4)
4.329153
Log P
4.3291545
Molar Refractivity
83.345
Polarizability
29.640093
Polar Surface Area
29.96
Rotatable Bonds
2
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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