Molecule

ID:20140

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO₂
Molecular Mass
215.24782
Exact Mass
215.09462866
Charge
0
InChI
InChI=1S/C13H13NO2/c1-15-12-3-2-4-13(9-12)16-11-7-5-10(14)6-8-11/h2-9H,14H2,1H3
InChIKey
MNHIVXZAHWHPHI-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)Oc1ccc(cc1)N
Isomeric Smiles
c1c(Oc2ccc(N)cc2)cccc1OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4654074
LogD (pH = 7.4)
2.4866579
Log P
2.4869359
Molar Refractivity
63.4624
Polarizability
24.316288
Polar Surface Area
44.48
Rotatable Bonds
3
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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