Molecule

ID:20361

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-10-5-3-4-6-13(10)16-14-8-7-12(15)9-11(14)2/h3-9H,15H2,1-2H3
InChIKey
KMJOAOYCGNYUPW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)Oc1ccccc1C
Isomeric Smiles
O(c1c(cc(N)cc1)C)c1c(C)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6140606
LogD (pH = 7.4)
3.6706774
Log P
3.67145
Molar Refractivity
67.0816
Polarizability
25.356771
Polar Surface Area
35.25
Rotatable Bonds
2
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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