Molecule

ID:40279

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClO
Molecular Mass
192.64156
Exact Mass
192.03419259
Charge
0
InChI
InChI=1S/C11H9ClO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2
InChIKey
GBRFPPIJEHQBGK-UHFFFAOYSA-N
Canonic Smiles
O=CC1=C(Cl)c2c(CC1)cccc2
Isomeric Smiles
C1(=C(CCc2c1cccc2)C=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5767791
LogD (pH = 7.4)
2.5767791
Log P
2.5767791
Molar Refractivity
54.4468
Polarizability
20.45256
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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