Molecule

ID:57693

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c1-17-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16/h2-9,15-16H,10H2,1H3
InChIKey
DZLVSZGODZJYTE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNc1ccccc1O
Isomeric Smiles
N(c1c(O)cccc1)Cc1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
10.260761
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.6756294
LogD (pH = 7.4)
2.7081263
Log P
2.7092605
Molar Refractivity
69.3085
Polarizability
26.028181
Polar Surface Area
41.49
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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