Molecule

ID:58263

General Information
Structure
Molecular Formula
C₁₁H₁₃NO₂
Molecular Mass
191.22642
Exact Mass
191.09462866
Charge
0
InChI
InChI=1S/C11H13NO2/c1-14-10-6-4-9(5-7-10)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3
InChIKey
IDJCCRRYIMWLSQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N1CCCC1=O
Isomeric Smiles
N1(C(=O)CCC1)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.144354
LogD (pH = 7.4)
1.144354
Log P
1.144354
Molar Refractivity
53.3954
Polarizability
20.677244
Polar Surface Area
29.54
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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