Molecule

ID:10639

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-2-16-14-9-8-12(10-13(14)15)11-6-4-3-5-7-11/h3-10H,2,15H2,1H3
InChIKey
TYWUJHITARZHMH-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1N)c1ccccc1
Isomeric Smiles
c1cccc(c1)c1ccc(c(c1)N)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9692833
LogD (pH = 7.4)
2.9904058
Log P
2.990682
Molar Refractivity
67.1064
Polarizability
26.873909
Polar Surface Area
35.25
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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