Molecule

ID:116162

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₂
Molecular Mass
191.22642
Exact Mass
191.09462866
Charge
0
InChI
InChI=1S/C11H13NO2/c13-10-5-3-9(4-6-10)11(14)12-7-1-2-8-12/h3-6,13H,1-2,7-8H2
InChIKey
ZKLMYAVIKBNKPN-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)O)N1CCCC1
Isomeric Smiles
C(=O)(N1CCCC1)c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
8.46217
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3729992
LogD (pH = 7.4)
1.3376176
Log P
1.3734704
Molar Refractivity
54.4517
Polarizability
20.403084
Polar Surface Area
40.54
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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