Molecule

ID:19550

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c1-10-7-8-13(14(9-10)16-2)17-12-6-4-3-5-11(12)15/h3-9H,15H2,1-2H3
InChIKey
CPKLEFTVRZNPLU-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)ccc1Oc1ccccc1N
Isomeric Smiles
O(c1c(cc(cc1)C)OC)c1c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9989223
LogD (pH = 7.4)
3.000339
Log P
3.0003572
Molar Refractivity
68.5036
Polarizability
26.085258
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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