Molecule

ID:24938

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₂
Molecular Mass
243.30098
Exact Mass
243.12592879
Charge
0
InChI
InChI=1S/C15H17NO2/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10,15H,16H2,1-2H3
InChIKey
HROGQYMZWGPHIB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(c1ccc(cc1)OC)N
Isomeric Smiles
C(c1ccc(cc1)OC)(c1ccc(cc1)OC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.34681034
LogD (pH = 7.4)
0.93858254
Log P
2.5679119
Molar Refractivity
71.7406
Polarizability
28.334082
Polar Surface Area
44.48
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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