Molecule

ID:51379

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉ClN₂S
Molecular Mass
294.84276
Exact Mass
294.0957473
Charge
0
InChI
InChI=1S/C15H18N2S.ClH/c16-12-14(13-4-2-1-3-5-13)6-8-15(9-7-14)17-10-11-18-15;/h1-5,17H,6-11H2;1H
InChIKey
YKHGWWYGAWNYJO-UHFFFAOYSA-N
Canonic Smiles
N#CC1(CCC2(CC1)NCCS2)c1ccccc1.Cl
Isomeric Smiles
C12(NCCS1)CCC(C#N)(CC2)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.12907732
LogD (pH = 7.4)
1.3086475
Log P
2.929429
Molar Refractivity
76.2231
Polarizability
29.893072
Polar Surface Area
35.82
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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