Molecule

ID:36298

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₄O₄
Molecular Mass
336.38616
Exact Mass
336.17975527
Charge
0
InChI
InChI=1S/C16H24N4O4/c1-18-7-9-20(10-8-18)17-15(21)11-19(12-16(22)23)13-3-5-14(24-2)6-4-13/h3-6H,7-12H2,1-2H3,(H,17,21)(H,22,23)
InChIKey
XMYQQCOREXDLKD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)O)CC(=O)NN1CCN(CC1)C
Isomeric Smiles
C(=O)(NN1CCN(CC1)C)CN(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.8055174
H Acceptors
7
H Donor
2
LogD (pH = 5.5)
-2.8947258
LogD (pH = 7.4)
-3.138642
Log P
-2.9002666
Molar Refractivity
90.0847
Polarizability
34.549656
Polar Surface Area
85.35
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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