Molecule

ID:5454

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₂O₃
Molecular Mass
330.42134
Exact Mass
330.1943427
Charge
0
InChI
InChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23)
InChIKey
NVGVZWUORYLPAL-UHFFFAOYSA-N
Canonic Smiles
CCOCn1c(=O)[nH]c(=O)c(c1Cc1cc(C)cc(c1)C)C(C)C
Isomeric Smiles
c1(cc(cc(c1)C)C)Cc1c(C(C)C)c(=O)[nH]c(=O)n1COCC
Calculated Properties
JChem
LogD (pH = 7.4)
3.80
LogD (pH = 5.5)
3.80
Log P
3.80
Rotatable Bonds
6
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
10.23
Polar Surface Area
58.64
Polarizability
37.23
Molar Refractivity
95.49
LOG S
-4.69
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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