Molecule

ID:24611

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₂S
Molecular Mass
254.7789
Exact Mass
254.06444717
Charge
0
InChI
InChI=1S/C12H14N2S.ClH/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9;/h1-2,5-6,9,13H,3-4,7-8H2;1H
InChIKey
MUTMKQFNAWJANU-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)c1nc2c(s1)cccc2.Cl
Isomeric Smiles
c1(nc2c(s1)cccc2)C1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6653184
LogD (pH = 7.4)
0.48684126
Log P
2.4960217
Molar Refractivity
61.847
Polarizability
25.566235
Polar Surface Area
24.92
Rotatable Bonds
1
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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