Molecule

ID:73319

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₂S
Molecular Mass
254.7789
Exact Mass
254.06444717
Charge
0
InChI
InChI=1S/C12H15ClN2S/c13-11-14-10(15-16-11)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2
InChIKey
VLJAYBKIWUHGSK-UHFFFAOYSA-N
Canonic Smiles
Clc1snc(n1)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
n1c(C23CC4CC(C2)CC(C3)C4)nc(s1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.160289
LogD (pH = 7.4)
4.1602907
Log P
4.1602907
Molar Refractivity
66.4746
Polarizability
25.440388
Polar Surface Area
25.78
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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