Molecule

ID:106391

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈N₂O₃
Molecular Mass
322.35782
Exact Mass
322.13174245
Charge
0
InChI
InChI=1S/C19H18N2O3/c1-12-9-18(22)24-17-11-14(7-8-15(12)17)21-19(23)16(20)10-13-5-3-2-4-6-13/h2-9,11,16H,10,20H2,1H3,(H,21,23)/t16-/m0/s1
InChIKey
UNWTXWNBQNGDDS-INIZCTEOSA-N
Canonic Smiles
O=C([C@H](Cc1ccccc1)N)Nc1ccc2c(c1)oc(=O)cc2C
Isomeric Smiles
Cc1cc(=O)oc2c1ccc(NC(=O)[C@@H](N)Cc1ccccc1)c2
Calculated Properties
JChem
Acid pKa
13.035219
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.23278536
LogD (pH = 7.4)
1.9268466
Log P
2.6214254
Molar Refractivity
93.1662
Polarizability
35.378387
Polar Surface Area
81.42
Rotatable Bonds
4
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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