Molecule

ID:62282

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₂OS
Molecular Mass
282.789
Exact Mass
282.05936179
Charge
0
InChI
InChI=1S/C13H14N2OS.ClH/c14-13(16)12-11(8-5-6-15-7-8)9-3-1-2-4-10(9)17-12;/h1-4,8,15H,5-7H2,(H2,14,16);1H
InChIKey
UMKGEEFSEDNQMY-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1sc2c(c1C1CNCC1)cccc2.Cl
Isomeric Smiles
c1(sc2c(c1C1CNCC1)cccc2)C(=O)N.Cl
Calculated Properties
JChem
Acid pKa
14.428744
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.6633168
LogD (pH = 7.4)
-1.280682
Log P
1.5708003
Molar Refractivity
69.0036
Polarizability
27.423605
Polar Surface Area
55.12
Rotatable Bonds
2
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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3-(pyrrolidin-3-yl)-1-benzothiophene-2-carboxamide hydrochloride|3-(pyrrolidin-3-yl)-1-benzothiophene-2-carboxamide hydrochloride|3-Pyrrolidin-3-yl-benzo[b]thiophene-2-carboxylic acid amide hydrochl... | Molfinder