Molecule

ID:19549

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO
Molecular Mass
199.24842
Exact Mass
199.09971404
Charge
0
InChI
InChI=1S/C13H13NO/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14/h2-9H,14H2,1H3
InChIKey
CBFBLDXMJDSGJZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Oc1ccccc1N
Isomeric Smiles
c1(Oc2ccc(cc2)C)c(N)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1561635
LogD (pH = 7.4)
3.158005
Log P
3.1580284
Molar Refractivity
62.0404
Polarizability
23.589909
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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