Molecule

ID:80833

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₇ClNOPS
Molecular Mass
385.846841
Exact Mass
385.04569948
Charge
0
InChI
InChI=1S/C20H17ClNOPS/c1-15-9-8-14-18(21)19(15)22-20(25)24(23,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14H,1H3,(H,22,25)
InChIKey
YLUDPULAEFVKBB-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1NC(=S)P(=O)(c1ccccc1)c1ccccc1)Cl
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C(=S)Nc1c(cccc1C)Cl
Calculated Properties
JChem
Acid pKa
5.2651296
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
6.2615275
LogD (pH = 7.4)
5.1716504
Log P
6.6781
Molar Refractivity
110.9261
Polarizability
43.00333
Polar Surface Area
29.1
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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