Molecule

ID:26892

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClNO₃S
Molecular Mass
323.79456
Exact Mass
323.03829199
Charge
0
InChI
InChI=1S/C15H14ClNO3S/c1-9-3-5-10(6-4-9)11-8-21-14(17-12(18)7-16)13(11)15(19)20-2/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKey
FBGRLHHCTXFOQP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)CCl
Isomeric Smiles
c1(c(scc1c1ccc(cc1)C)NC(=O)CCl)C(=O)OC
Calculated Properties
JChem
Acid pKa
9.913567
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.508846
LogD (pH = 7.4)
4.507599
Log P
4.5088615
Molar Refractivity
84.1426
Polarizability
32.856075
Polar Surface Area
55.4
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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