Molecule

ID:19396

General Information
Structure
Molecular Formula
C₁₃H₁₃NO
Molecular Mass
199.24842
Exact Mass
199.09971404
Charge
0
InChI
InChI=1S/C13H13NO/c1-15-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14/h2-9H,14H2,1H3
InChIKey
AUUXOXVQBXLAKY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccccc1N
Isomeric Smiles
c1(c2ccc(cc2)OC)c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.620363
LogD (pH = 7.4)
2.633701
Log P
2.633874
Molar Refractivity
62.3578
Polarizability
25.024967
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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