Molecule

ID:26318

General Information
Structure
Molecular Formula
C₁₄H₂₂N₂OS
Molecular Mass
266.40228
Exact Mass
266.14528433
Charge
0
InChI
InChI=1S/C14H22N2OS/c1-4-14(2,3)8-5-6-9-10(7-8)18-13(16)11(9)12(15)17/h8H,4-7,16H2,1-3H3,(H2,15,17)
InChIKey
GFSZVGGFYXGNQA-UHFFFAOYSA-N
Canonic Smiles
CCC(C1CCc2c(C1)sc(c2C(=O)N)N)(C)C
Isomeric Smiles
c1(c(sc2c1CCC(C2)C(CC)(C)C)N)C(=O)N
Calculated Properties
JChem
Acid pKa
15.372682
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.9393141
LogD (pH = 7.4)
3.9393144
Log P
3.9393144
Molar Refractivity
76.2971
Polarizability
28.644466
Polar Surface Area
69.11
Rotatable Bonds
3
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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