Molecule

ID:117219

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₃
Molecular Mass
257.2845
Exact Mass
257.10519335
Charge
0
InChI
InChI=1S/C15H15NO3/c1-18-13-7-6-11(9-14(13)19-2)15(17)10-4-3-5-12(16)8-10/h3-9H,16H2,1-2H3
InChIKey
HFZPYPRRAVDPBX-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)C(=O)c1cccc(c1)N
Isomeric Smiles
C(=O)(c1cc(c(cc1)OC)OC)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.2866905
LogD (pH = 7.4)
2.2883096
Log P
2.2883303
Molar Refractivity
74.2603
Polarizability
28.15072
Polar Surface Area
61.55
Rotatable Bonds
4
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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