Molecule

ID:129253

General Information
Structure
Molecular Formula
C₁₈H₁₉N₃O₃
Molecular Mass
325.36176
Exact Mass
325.14264148
Charge
0
InChI
InChI=1S/C18H19N3O3/c1-24-16-9-5-2-6-13(16)12-19-10-11-21-17(22)14-7-3-4-8-15(14)20-18(21)23/h2-9,19H,10-12H2,1H3,(H,20,23)
InChIKey
NUAJBITWGGTZCM-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CNCCn1c(=O)[nH]c2c(c1=O)cccc2
Isomeric Smiles
O=c1[nH]c2ccccc2c(=O)n1CCNCc1ccccc1OC
Calculated Properties
JChem
Acid pKa
11.424471
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.07528686
LogD (pH = 7.4)
1.7707586
Log P
2.8230221
Molar Refractivity
92.473
Polarizability
34.63258
Polar Surface Area
70.67
Rotatable Bonds
6
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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