Molecule

ID:52000

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NS
Molecular Mass
177.26604
Exact Mass
177.06122036
Charge
0
InChI
InChI=1S/C10H11NS/c1-9-2-4-10(5-3-9)6-7-11-8-12/h2-5H,6-7H2,1H3
InChIKey
GLZKGBMKYHSHAI-UHFFFAOYSA-N
Canonic Smiles
S=C=NCCc1ccc(cc1)C
Isomeric Smiles
C(Cc1ccc(cc1)C)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5962057
LogD (pH = 7.4)
3.5962057
Log P
3.5962057
Molar Refractivity
55.7379
Polarizability
21.463787
Polar Surface Area
12.36
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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