Molecule

ID:115774

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃N₃O₄
Molecular Mass
309.36082
Exact Mass
309.16885623
Charge
0
InChI
InChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-8-6-11(7-9-18)10-21-13-5-4-12(19)16-17-13/h4-5,11H,6-10H2,1-3H3,(H,16,19)
InChIKey
YAHXROQEABJSOY-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)COc1ccc(=O)[nH]n1)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(COc2n[nH]c(=O)cc2)CC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
8.463172
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1056043
LogD (pH = 7.4)
1.0742694
Log P
1.106023
Molar Refractivity
81.8938
Polarizability
31.256681
Polar Surface Area
80.23
Rotatable Bonds
5
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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