Molecule

ID:17192

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO
Molecular Mass
175.22702
Exact Mass
175.09971404
Charge
0
InChI
InChI=1S/C11H13NO/c1-2-12-6-5-10-7-9(8-13)3-4-11(10)12/h3-4,7-8H,2,5-6H2,1H3
InChIKey
TUZLCZBYRRVJER-UHFFFAOYSA-N
Canonic Smiles
CCN1CCc2c1ccc(c2)C=O
Isomeric Smiles
c12c(N(CC2)CC)ccc(c1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1885478
LogD (pH = 7.4)
2.190464
Log P
2.1904886
Molar Refractivity
55.1288
Polarizability
19.919481
Polar Surface Area
20.31
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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