Molecule

ID:17799

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NS
Molecular Mass
179.28192
Exact Mass
179.07687042
Charge
0
InChI
InChI=1S/C10H13NS/c1-2-7(1)10-8-4-6-12-9(8)3-5-11-10/h4,6-7,10-11H,1-3,5H2
InChIKey
YLISNFNPLLPBMW-UHFFFAOYSA-N
Canonic Smiles
C1NC(C2CC2)c2c(C1)scc2
Isomeric Smiles
C1(c2c(CCN1)scc2)C1CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.8071909
LogD (pH = 7.4)
0.4561799
Log P
2.324709
Molar Refractivity
51.2281
Polarizability
20.009054
Polar Surface Area
12.03
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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