Molecule

ID:17044

General Information
Structure
Molecular Formula
C₈H₁₃NS
Molecular Mass
155.26052
Exact Mass
155.07687042
Charge
0
InChI
InChI=1S/C8H13NS/c1-6(2)8(9)7-4-3-5-10-7/h3-6,8H,9H2,1-2H3
InChIKey
VJVICAYVXMSTAM-UHFFFAOYSA-N
Canonic Smiles
CC(C(c1cccs1)N)C
Isomeric Smiles
c1(C(C(C)C)N)cccs1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6502015
LogD (pH = 7.4)
0.4314778
Log P
2.315966
Molar Refractivity
44.8357
Polarizability
17.869747
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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