Molecule

ID:42645

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClO₂
Molecular Mass
194.61438
Exact Mass
194.01345714
Charge
0
InChI
InChI=1S/C10H7ClO2/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h1,3-4,6-7H,5H2
InChIKey
JPOACCUDQZMTSO-UHFFFAOYSA-N
Canonic Smiles
C#CCOc1ccc(cc1C=O)Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)OCC#C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3602047
LogD (pH = 7.4)
2.3602047
Log P
2.3602047
Molar Refractivity
51.4902
Polarizability
19.208809
Polar Surface Area
26.3
Rotatable Bonds
3
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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