Molecule

ID:80803

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄NOPS
Molecular Mass
275.305821
Exact Mass
275.0533717
Charge
0
InChI
InChI=1S/C14H14NOPS/c1-15-14(18)17(16,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,18)
InChIKey
WSPSAWPEAZMERX-UHFFFAOYSA-N
Canonic Smiles
CNC(=S)P(=O)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C(=S)NC
Calculated Properties
JChem
Acid pKa
10.869654
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.534587
LogD (pH = 7.4)
3.534452
Log P
3.5346
Molar Refractivity
79.5217
Polarizability
31.62551
Polar Surface Area
29.1
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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