Molecule

ID:101455

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO
Molecular Mass
199.24842
Exact Mass
199.09971404
Charge
0
InChI
InChI=1S/C13H13NO/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9H,10,14H2
InChIKey
FSQPEMRQTZGIRF-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)COc1ccccc1
Isomeric Smiles
O(Cc1cc(N)ccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6925054
LogD (pH = 7.4)
2.7108822
Log P
2.7111218
Molar Refractivity
61.8342
Polarizability
23.605886
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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