Molecule

ID:22883

General Information
Structure
Molecular Formula
C₁₉H₂₄N₂O₃
Molecular Mass
328.40546
Exact Mass
328.17869264
Charge
0
InChI
InChI=1S/C19H24N2O3/c1-13(2)10-11-24-16-7-4-14(5-8-16)19(22)21-17-12-15(20)6-9-18(17)23-3/h4-9,12-13H,10-11,20H2,1-3H3,(H,21,22)
InChIKey
AMNRSZSDINMZCK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)c1ccc(cc1)OCCC(C)C)N
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)c1ccc(cc1)OCCC(C)C
Calculated Properties
JChem
Acid pKa
12.229838
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.4881763
LogD (pH = 7.4)
3.5311959
Log P
3.5317802
Molar Refractivity
97.6405
Polarizability
36.475716
Polar Surface Area
73.58
Rotatable Bonds
7
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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