Molecule

ID:120109

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₂
Molecular Mass
227.25852
Exact Mass
227.09462866
Charge
0
InChI
InChI=1S/C14H13NO2/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-9H,15H2,1H3
InChIKey
GHHYIYWROJLOLU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)c1cccc(c1)N
Isomeric Smiles
C(=O)(c1cc(N)ccc1)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4442031
LogD (pH = 7.4)
2.4459789
Log P
2.4460015
Molar Refractivity
67.7971
Polarizability
25.63823
Polar Surface Area
52.32
Rotatable Bonds
3
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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