Molecule

ID:125793

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O₃
Molecular Mass
308.33124
Exact Mass
308.11609238
Charge
0
InChI
InChI=1S/C18H16N2O3/c1-2-20-11-15(18(22)23)16(21)14-9-8-13(19-17(14)20)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,22,23)
InChIKey
WHHHJDGNBVQNAU-UHFFFAOYSA-N
Canonic Smiles
CCn1cc(C(=O)O)c(=O)c2c1nc(cc2)Cc1ccccc1
Isomeric Smiles
CCn1cc(c(=O)c2c1nc(cc2)Cc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
5.8537226
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.9035177
LogD (pH = 7.4)
1.5141704
Log P
3.0724084
Molar Refractivity
87.5464
Polarizability
32.56948
Polar Surface Area
70.5
Rotatable Bonds
4
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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