Molecule

ID:5761

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₄O₂S
Molecular Mass
284.72206
Exact Mass
284.01347423
Charge
0
InChI
InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H,14,15)(H2,12,16,17)
InChIKey
RSNSGNZRUMHXAY-UHFFFAOYSA-N
Canonic Smiles
Clc1cncc(n1)Nc1ccc(cc1)S(=O)(=O)N
Isomeric Smiles
NS(=O)(=O)c1ccc(Nc2cncc(Cl)n2)cc1
Calculated Properties
JChem
Acid pKa
10.742957
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.0025332
LogD (pH = 7.4)
1.0023623
Log P
1.0025369
Molar Refractivity
68.5679
Polarizability
26.592737
Polar Surface Area
97.97
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.04
LOG S
-3.38
Solubility (Water)
1.20e-01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation