Molecule

ID:20544

General Information
Structure
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c1-10-9-13(7-8-14(10)15)17-12-5-3-11(16-2)4-6-12/h3-9H,15H2,1-2H3
InChIKey
KONLUXDVHBCNRQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Oc1ccc(c(c1)C)N
Isomeric Smiles
c1(c(ccc(c1)Oc1ccc(cc1)OC)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9831254
LogD (pH = 7.4)
3.000136
Log P
3.0003572
Molar Refractivity
68.5036
Polarizability
26.08143
Polar Surface Area
44.48
Rotatable Bonds
3
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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