Molecule

ID:40627

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNOS
Molecular Mass
225.69462
Exact Mass
225.00151256
Charge
0
InChI
InChI=1S/C10H8ClNOS/c11-10-12-6-9(14-10)7-13-8-4-2-1-3-5-8/h1-6H,7H2
InChIKey
DKLDULIVLVOTMM-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(s1)COc1ccccc1
Isomeric Smiles
c1(ncc(s1)COc1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2452917
LogD (pH = 7.4)
3.245294
Log P
3.245294
Molar Refractivity
57.1522
Polarizability
22.228638
Polar Surface Area
22.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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