Molecule

ID:36362

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅N₃O₄
Molecular Mass
335.3981
Exact Mass
335.1845063
Charge
0
InChI
InChI=1S/C17H25N3O4/c1-3-18-8-10-19(11-9-18)16(21)12-20(13-17(22)23)14-4-6-15(24-2)7-5-14/h4-7H,3,8-13H2,1-2H3,(H,22,23)
InChIKey
WAYAYCBLLWFLDN-UHFFFAOYSA-N
Canonic Smiles
CCN1CCN(CC1)C(=O)CN(c1ccc(cc1)OC)CC(=O)O
Isomeric Smiles
C(=O)(N1CCN(CC1)CC)CN(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.747984
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.9568244
LogD (pH = 7.4)
-2.2337701
Log P
-1.9650991
Molar Refractivity
91.5333
Polarizability
34.95037
Polar Surface Area
73.32
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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