Molecule

ID:19558

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c1-2-16-11-6-5-7-12(10-11)17-14-9-4-3-8-13(14)15/h3-10H,2,15H2,1H3
InChIKey
HXVQNBXIXLQZCD-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)Oc1ccccc1N
Isomeric Smiles
O(c1c(N)cccc1)c1cc(OCC)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.842247
LogD (pH = 7.4)
2.843725
Log P
2.8437438
Molar Refractivity
68.211
Polarizability
26.16264
Polar Surface Area
44.48
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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