Molecule

ID:16166

General Information
Structure
Molecular Formula
C₁₃H₁₃NO
Molecular Mass
199.24842
Exact Mass
199.09971404
Charge
0
InChI
InChI=1S/C13H13NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10,14H2
InChIKey
PLPVLSBYYOWFKM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1OCc1ccccc1
Isomeric Smiles
O(c1c(N)cccc1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6803432
LogD (pH = 7.4)
2.7107203
Log P
2.7111218
Molar Refractivity
61.8342
Polarizability
23.607141
Polar Surface Area
35.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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