Molecule

ID:101465

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c15-10-12-6-8-13(9-7-12)11-16-14-4-2-1-3-5-14/h1-9H,10-11,15H2
InChIKey
UFXUNJSPYPLGOF-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)COc1ccccc1
Isomeric Smiles
O(Cc1ccc(cc1)CN)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.32145205
LogD (pH = 7.4)
0.6227451
Log P
2.665816
Molar Refractivity
65.6072
Polarizability
25.850605
Polar Surface Area
35.25
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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