Molecule

ID:7541

General Information
Structure
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-10-8-13(15)14(16-2)9-12(10)11-6-4-3-5-7-11/h3-9H,15H2,1-2H3
InChIKey
NLPFRHHIACJMBY-UHFFFAOYSA-N
Canonic Smiles
COc1cc(c2ccccc2)c(cc1N)C
Isomeric Smiles
c1(c(cc(c(c1)N)OC)c1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1124187
LogD (pH = 7.4)
3.1468382
Log P
3.1472952
Molar Refractivity
67.399
Polarizability
26.789534
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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