Molecule

ID:57692

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c1-17-14-9-5-3-7-12(14)15-10-11-6-2-4-8-13(11)16/h2-9,15-16H,10H2,1H3
InChIKey
HRWOADPHRVVBEZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NCc1ccccc1O
Isomeric Smiles
N(Cc1c(O)cccc1)c1c(OC)cccc1
Calculated Properties
JChem
Acid pKa
9.230765
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.6890614
LogD (pH = 7.4)
2.702672
Log P
2.7092605
Molar Refractivity
69.3085
Polarizability
26.028463
Polar Surface Area
41.49
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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