Molecule

ID:83068

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇Cl₂NOS
Molecular Mass
272.15038
Exact Mass
270.96254021
Charge
0
InChI
InChI=1S/C11H7Cl2NOS/c12-8-3-4-10(13)11(6-8)14(15)7-9-2-1-5-16-9/h1-7H
InChIKey
GRCJWHFUEYPCHO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)/[N+](=C/c1cccs1)/[O-])Cl
Isomeric Smiles
[N+](=C\c1cccs1)(/c1c(ccc(c1)Cl)Cl)\[O-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.384255
LogD (pH = 7.4)
4.3842554
Log P
4.3842554
Molar Refractivity
77.7307
Polarizability
25.50239
Polar Surface Area
28.75
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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