Molecule

ID:34037

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂OS
Molecular Mass
246.7569
Exact Mass
246.05936179
Charge
0
InChI
InChI=1S/C10H14N2OS.ClH/c11-8-3-1-5-12(7-8)10(13)9-4-2-6-14-9;/h2,4,6,8H,1,3,5,7,11H2;1H
InChIKey
HRGTXWXHHAUNKE-UHFFFAOYSA-N
Canonic Smiles
NC1CCCN(C1)C(=O)c1cccs1.Cl
Isomeric Smiles
N1(C(=O)c2sccc2)CC(N)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1267023
LogD (pH = 7.4)
-1.1250918
Log P
0.85270035
Molar Refractivity
56.9807
Polarizability
21.84916
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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