Molecule

ID:75971

General Information
Structure
Molecular Formula
C₁₄H₁₁NS
Molecular Mass
225.30884
Exact Mass
225.06122036
Charge
0
InChI
InChI=1S/C14H11NS/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChIKey
WDOSFTZMBFYTED-UHFFFAOYSA-N
Canonic Smiles
S=C=NC(c1ccccc1)c1ccccc1
Isomeric Smiles
N(=C=S)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5783634
LogD (pH = 7.4)
4.5783634
Log P
4.5783634
Molar Refractivity
70.2245
Polarizability
27.567984
Polar Surface Area
12.36
Rotatable Bonds
3
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
References
Bioactivity
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