Molecule

ID:9961

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NS
Molecular Mass
177.26604
Exact Mass
177.06122036
Charge
0
InChI
InChI=1S/C10H11NS/c1-8(2)9-3-5-10(6-4-9)11-7-12/h3-6,8H,1-2H3
InChIKey
SNWJJTIJIDXIHL-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)N=C=S)C
Isomeric Smiles
C(=Nc1ccc(cc1)C(C)C)=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.240078
LogD (pH = 7.4)
4.2400804
Log P
4.2400804
Molar Refractivity
57.3117
Polarizability
21.519773
Polar Surface Area
12.36
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
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Molecule Details
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References
Bioactivity
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