Molecule

ID:37478

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₂
Molecular Mass
189.21054
Exact Mass
189.0789786
Charge
0
InChI
InChI=1S/C11H11NO2/c13-11(14)6-8-12-7-5-9-3-1-2-4-10(9)12/h1-5,7H,6,8H2,(H,13,14)
InChIKey
OSWNOVFZARRSKM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCn1ccc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)ccn2CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.799002
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2314821
LogD (pH = 7.4)
-0.5430004
Log P
2.01068
Molar Refractivity
52.8252
Polarizability
21.569056
Polar Surface Area
42.23
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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