Molecule

ID:30271

General Information
Structure
Molecular Formula
C₁₉H₁₈N₂O₃
Molecular Mass
322.35782
Exact Mass
322.13174245
Charge
0
InChI
InChI=1S/C19H18N2O3/c1-12-2-4-14-8-15(19(22)21-16(14)6-12)10-20-9-13-3-5-17-18(7-13)24-11-23-17/h2-8,20H,9-11H2,1H3,(H,21,22)
InChIKey
YBBAMZQEZRMBRK-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)[nH]c(=O)c(c2)CNCc1ccc2c(c1)OCO2
Isomeric Smiles
c1(c(=O)[nH]c2c(c1)ccc(c2)C)CNCc1cc2c(OCO2)cc1
Calculated Properties
JChem
Acid pKa
13.561268
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.34682596
LogD (pH = 7.4)
2.0791821
Log P
2.8987482
Molar Refractivity
93.2638
Polarizability
35.17699
Polar Surface Area
59.59
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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