Molecule

ID:13356

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₂
Molecular Mass
191.22642
Exact Mass
191.09462866
Charge
0
InChI
InChI=1S/C11H13NO2/c1-9-4-5-11(14-9)8-12-7-10-3-2-6-13-10/h2-6,12H,7-8H2,1H3
InChIKey
BMSWTCZZXWQCFU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)CNCc1ccco1
Isomeric Smiles
c1cc(oc1)CNCc1ccc(o1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.31430146
LogD (pH = 7.4)
1.4899026
Log P
1.5761224
Molar Refractivity
53.8501
Polarizability
20.619694
Polar Surface Area
38.31
Rotatable Bonds
4
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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