Molecule

ID:31304

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClOS
Molecular Mass
200.68516
Exact Mass
200.00626359
Charge
0
InChI
InChI=1S/C9H9ClOS/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2
InChIKey
NDXZYCKYJSHECJ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc2c(s1)CCCC2
Isomeric Smiles
c1(sc2c(c1)CCCC2)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6617334
LogD (pH = 7.4)
3.6617334
Log P
3.6617334
Molar Refractivity
51.4829
Polarizability
19.272984
Polar Surface Area
17.07
Rotatable Bonds
1
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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