Molecule

ID:29258

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₂
Molecular Mass
257.32756
Exact Mass
257.14157885
Charge
0
InChI
InChI=1S/C16H19NO2/c1-18-11-12-19-16-10-6-5-7-14(16)13-17-15-8-3-2-4-9-15/h2-10,17H,11-13H2,1H3
InChIKey
JCGATMBFIQBYMN-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccccc1CNc1ccccc1
Isomeric Smiles
c1(CNc2ccccc2)c(OCCOC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9567752
LogD (pH = 7.4)
2.965735
Log P
2.9658504
Molar Refractivity
78.3711
Polarizability
29.806871
Polar Surface Area
30.49
Rotatable Bonds
7
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
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References
Bioactivity
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