Molecule

ID:87026

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO
Molecular Mass
175.22702
Exact Mass
175.09971404
Charge
0
InChI
InChI=1S/C11H13NO/c1-8(13)12-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3,(H,12,13)
InChIKey
WOYOJAPRKMBKEU-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc2c(c1)CCC2
Isomeric Smiles
N(c1cc2c(cc1)CCC2)C(=O)C
Calculated Properties
JChem
Acid pKa
14.711059
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2186418
LogD (pH = 7.4)
2.2186418
Log P
2.2186418
Molar Refractivity
53.8022
Polarizability
19.846468
Polar Surface Area
29.1
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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