Molecule

ID:37806

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O₂
Molecular Mass
300.39536
Exact Mass
300.18377802
Charge
0
InChI
InChI=1S/C18H24N2O2/c1-5-22-18(21)17-13(3)16(20-14(17)4)11-19-10-15-8-6-12(2)7-9-15/h6-9,19-20H,5,10-11H2,1-4H3
InChIKey
BMZNUYUBIXNEQK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(C)[nH]c(c1C)CNCc1ccc(cc1)C
Isomeric Smiles
[nH]1c(c(c(c1C)C(=O)OCC)C)CNCc1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
14.359968
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.0371112
LogD (pH = 7.4)
2.7100127
Log P
3.842642
Molar Refractivity
90.5609
Polarizability
34.399426
Polar Surface Area
54.12
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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