Molecule

ID:55663

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₂OS
Molecular Mass
270.7783
Exact Mass
270.05936179
Charge
0
InChI
InChI=1S/C12H14N2OS.ClH/c1-15-12-14-9-11(16-12)8-13-7-10-5-3-2-4-6-10;/h2-6,9,13H,7-8H2,1H3;1H
InChIKey
PAUTVFLWLNTQHV-UHFFFAOYSA-N
Canonic Smiles
COc1ncc(s1)CNCc1ccccc1.Cl
Isomeric Smiles
c1(ncc(s1)CNCc1ccccc1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.272157
LogD (pH = 7.4)
1.9908752
Log P
2.5738788
Molar Refractivity
64.8476
Polarizability
25.433142
Polar Surface Area
34.15
Rotatable Bonds
5
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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