Molecule

ID:56308

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClOS
Molecular Mass
214.71174
Exact Mass
214.02191365
Charge
0
InChI
InChI=1S/C10H11ClOS/c11-10(12)9-6-7-4-2-1-3-5-8(7)13-9/h6H,1-5H2
InChIKey
YPRCPTYRZQKXEV-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc2c(s1)CCCCC2
Isomeric Smiles
c1(sc2c(c1)CCCCC2)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1063023
LogD (pH = 7.4)
4.1063023
Log P
4.1063023
Molar Refractivity
56.0839
Polarizability
21.101442
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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