Molecule

ID:17043

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NS
Molecular Mass
155.26052
Exact Mass
155.07687042
Charge
0
InChI
InChI=1S/C8H13NS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-7H,2,4,9H2,1H3
InChIKey
TZMMVAUKJDWTAK-UHFFFAOYSA-N
Canonic Smiles
CCCC(c1cccs1)N
Isomeric Smiles
c1(C(CCC)N)cccs1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.55767584
LogD (pH = 7.4)
0.5879548
Log P
2.3955617
Molar Refractivity
44.9651
Polarizability
17.869755
Polar Surface Area
26.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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