Molecule

ID:75085

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₂
Molecular Mass
243.30098
Exact Mass
243.12592879
Charge
0
InChI
InChI=1S/C15H17NO2/c1-16-12-15(17-13-8-4-2-5-9-13)18-14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3
InChIKey
ZWIHFGNGXRCIIL-UHFFFAOYSA-N
Canonic Smiles
CNCC(Oc1ccccc1)Oc1ccccc1
Isomeric Smiles
O(c1ccccc1)C(CNC)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.4050098
LogD (pH = 7.4)
1.9081831
Log P
3.4210987
Molar Refractivity
70.5354
Polarizability
28.34264
Polar Surface Area
30.49
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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