Molecule

ID:52029

General Information
Structure
Molecular Formula
C₁₁H₁₅NS
Molecular Mass
193.3085
Exact Mass
193.09252049
Charge
0
InChI
InChI=1S/C11H15NS/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2
InChIKey
YPKFLUARLJRPQM-UHFFFAOYSA-N
Canonic Smiles
S=C=NC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12CC3CC(C1)(CC(C2)C3)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1610565
LogD (pH = 7.4)
3.1610565
Log P
3.1610565
Molar Refractivity
56.9459
Polarizability
22.695358
Polar Surface Area
12.36
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
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Molecule Details
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References
Bioactivity
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