Molecule

ID:28833

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-15-13-8-5-9-14(10-13)16-11-12-6-3-2-4-7-12/h2-10,15H,11H2,1H3
InChIKey
SBFJOCBTUYEOOD-UHFFFAOYSA-N
Canonic Smiles
CNc1cccc(c1)OCc1ccccc1
Isomeric Smiles
c1c(OCc2ccccc2)cccc1NC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9902446
LogD (pH = 7.4)
3.0125341
Log P
3.0128257
Molar Refractivity
67.3276
Polarizability
25.451889
Polar Surface Area
21.26
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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