Molecule

ID:44684

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrClNS
Molecular Mass
308.6655
Exact Mass
306.97971017
Charge
0
InChI
InChI=1S/C11H14BrNS.ClH/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11;/h1-4,11,13H,5-8H2;1H
InChIKey
JORSWXJFDJXZJO-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)SC1CCNCC1.Cl
Isomeric Smiles
N1CCC(Sc2ccc(Br)cc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.41134402
LogD (pH = 7.4)
0.30881628
Log P
2.806418
Molar Refractivity
66.6945
Polarizability
26.075497
Polar Surface Area
12.03
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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