Molecule

ID:27627

General Information
Structure
MolImage
Molecular Formula
C₇H₅NO₃S
Molecular Mass
183.1845
Exact Mass
182.99901403
Charge
0
InChI
InChI=1S/C7H5NO3S/c1-11-7(10)6-5(8-4-9)2-3-12-6/h2-3H,1H3
InChIKey
SKYDNLJVNFYBGY-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccsc1C(=O)OC
Isomeric Smiles
c1(c(N=C=O)ccs1)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7991598
LogD (pH = 7.4)
1.7991598
Log P
1.7991598
Molar Refractivity
44.0452
Polarizability
15.910783
Polar Surface Area
55.73
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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