Molecule

ID:86968

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂S
Molecular Mass
160.28034
Exact Mass
160.10341952
Charge
0
InChI
InChI=1S/C7H16N2S/c1-3-5-8-7(10)9-6-4-2/h3-6H2,1-2H3,(H2,8,9,10)
InChIKey
AUXGIIVHLRLBSG-UHFFFAOYSA-N
Canonic Smiles
CCCNC(=S)NCCC
Isomeric Smiles
S=C(NCCC)NCCC
Calculated Properties
JChem
Acid pKa
14.341853
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
1.7320485
LogD (pH = 7.4)
1.7320485
Log P
1.7320485
Molar Refractivity
49.4721
Polarizability
19.347574
Polar Surface Area
24.06
Rotatable Bonds
4
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