Molecule

ID:124046

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₄S
Molecular Mass
294.803
Exact Mass
294.07059518
Charge
0
InChI
InChI=1S/C13H15ClN4S/c14-12-13(16-19-15-12)18-8-6-17(7-9-18)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
IUKYYNDOMNJARO-UHFFFAOYSA-N
Canonic Smiles
Clc1nsnc1N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
c1(c(nsn1)Cl)N1CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.6225512
LogD (pH = 7.4)
3.4234369
Log P
3.4540133
Molar Refractivity
82.1051
Polarizability
29.971775
Polar Surface Area
32.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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