Molecule

ID:121638

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO₂
Molecular Mass
251.27992
Exact Mass
251.09462866
Charge
0
InChI
InChI=1S/C16H13NO2/c1-10-8-12(17)6-7-13(10)14-9-11-4-2-3-5-15(11)19-16(14)18/h2-9H,17H2,1H3
InChIKey
QOOIOAQDDXPZJW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)c1cc2ccccc2oc1=O
Isomeric Smiles
c1(c(=O)oc2c(c1)cccc2)c1c(cc(cc1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.13223
LogD (pH = 7.4)
3.135896
Log P
3.135943
Molar Refractivity
75.7423
Polarizability
28.267084
Polar Surface Area
52.32
Rotatable Bonds
1
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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