Molecule

ID:74657

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄N₂S
Molecular Mass
146.25376
Exact Mass
146.08776946
Charge
0
InChI
InChI=1S/C6H14N2S/c7-1-2-8-3-5-9-6-4-8/h1-7H2
InChIKey
ZMBVBAVBXVSHER-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCSCC1
Isomeric Smiles
S1CCN(CC1)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.10394
LogD (pH = 7.4)
-2.2610147
Log P
-0.24565558
Molar Refractivity
43.298
Polarizability
17.172808
Polar Surface Area
29.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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