Molecule

ID:19419

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-10-8-12(15)6-7-14(10)11-4-3-5-13(9-11)16-2/h3-9H,15H2,1-2H3
InChIKey
BBULYSOVXVHCEB-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1ccc(cc1C)N
Isomeric Smiles
c1(c(cc(cc1)N)C)c1cc(OC)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.121001
LogD (pH = 7.4)
3.146954
Log P
3.1472952
Molar Refractivity
67.399
Polarizability
26.788551
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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