Molecule

ID:77755

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NS
Molecular Mass
145.2657
Exact Mass
145.09252049
Charge
0
InChI
InChI=1S/C7H15NS/c1-8-6-7-2-4-9-5-3-7/h7-8H,2-6H2,1H3
InChIKey
FPKJBESBCAZWPI-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCSCC1
Isomeric Smiles
S1CCC(CC1)CNC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.1164868
LogD (pH = 7.4)
-1.832173
Log P
1.1203825
Molar Refractivity
43.9645
Polarizability
17.494057
Polar Surface Area
12.03
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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