Molecule

ID:19555

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO
Molecular Mass
235.28052
Exact Mass
235.09971404
Charge
0
InChI
InChI=1S/C16H13NO/c17-14-9-3-4-10-16(14)18-15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,17H2
InChIKey
XGFJMWKZGVEFBI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1Oc1cccc2c1cccc2
Isomeric Smiles
O(c1c2c(ccc1)cccc2)c1c(N)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6320994
LogD (pH = 7.4)
3.6340587
Log P
3.6340837
Molar Refractivity
73.4494
Polarizability
29.429049
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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