Molecule

ID:101397

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-16-11-13-7-5-6-8-14(13)12-17-15-9-3-2-4-10-15/h2-10,16H,11-12H2,1H3
InChIKey
WFUPXVCKIKJBIM-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccccc1COc1ccccc1
Isomeric Smiles
c1(COc2ccccc2)c(CNC)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.08741173
LogD (pH = 7.4)
0.9322413
Log P
3.0983965
Molar Refractivity
70.3818
Polarizability
27.69748
Polar Surface Area
21.26
Rotatable Bonds
5
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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