Molecule

ID:60681

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₂
Molecular Mass
189.21054
Exact Mass
189.0789786
Charge
0
InChI
InChI=1S/C11H11NO2/c1-2-7-12-9-6-4-3-5-8(9)10(13)11(12)14/h3-6H,2,7H2,1H3
InChIKey
SSUNBCWMOHUMAX-UHFFFAOYSA-N
Canonic Smiles
CCCN1c2ccccc2C(=O)C1=O
Isomeric Smiles
C1(=O)N(c2c(C1=O)cccc2)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.69494
LogD (pH = 7.4)
1.69494
Log P
1.69494
Molar Refractivity
52.8635
Polarizability
20.050966
Polar Surface Area
37.38
Rotatable Bonds
2
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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