Molecule

ID:131784

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆ClN₃O₂S
Molecular Mass
313.80304
Exact Mass
313.06517545
Charge
0
InChI
InChI=1S/C13H15N3O2S.ClH/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13;/h1-5,10,14H,6-9H2;1H
InChIKey
MBZNIYPWRIDBOD-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1cccc2c1ccnc2)N1CCNCC1.Cl
Isomeric Smiles
c1cc2cnccc2c(c1)S(=O)(=O)N1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4023747
LogD (pH = 7.4)
0.06387309
Log P
0.2625047
Molar Refractivity
73.058
Polarizability
30.375748
Polar Surface Area
62.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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