Molecule

ID:89488

General Information
Structure
Molecular Formula
C₁₀H₁₁NS
Molecular Mass
177.26604
Exact Mass
177.06122036
Charge
0
InChI
InChI=1S/C10H11NS/c1-7-4-8(2)10(11-6-12)9(3)5-7/h4-5H,1-3H3
InChIKey
KKYMYPLVBCVDPL-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1c(C)cc(cc1C)C
Isomeric Smiles
N(=C=S)c1c(cc(cc1C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.535331
LogD (pH = 7.4)
4.535335
Log P
4.535335
Molar Refractivity
58.2445
Polarizability
21.361473
Polar Surface Area
12.36
Rotatable Bonds
1
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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