Molecule

ID:109191

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₂S₂
Molecular Mass
284.48376
Exact Mass
284.13809078
Charge
0
InChI
InChI=1S/C14H24N2S2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)
InChIKey
TVTXGOPUBNYSCO-UHFFFAOYSA-N
Canonic Smiles
S=C(C(=S)NC1CCCCC1)NC1CCCCC1
Isomeric Smiles
S=C(NC1CCCCC1)C(=S)NC1CCCCC1
Calculated Properties
JChem
Acid pKa
-6.047278
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
3.8712196
LogD (pH = 7.4)
3.8655658
Log P
3.9479957
Molar Refractivity
85.8866
Polarizability
34.254112
Polar Surface Area
24.06
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation