Molecule

ID:84245

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇ClN₂O₂S
Molecular Mass
372.86848
Exact Mass
372.06992647
Charge
0
InChI
InChI=1S/C19H17ClN2O2S/c1-19(2,3)14-7-4-12(5-8-14)18-21-16(11-25-18)13-6-9-15(20)17(10-13)22(23)24/h4-11H,1-3H3
InChIKey
RXNRNGNJXYADSX-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1Cl)c1csc(n1)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
n1c(c2ccc(cc2)C(C)(C)C)scc1c1cc(c(cc1)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.7789154
LogD (pH = 7.4)
6.778969
Log P
6.77897
Molar Refractivity
111.9276
Polarizability
40.366074
Polar Surface Area
58.71
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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