Molecule

ID:131286

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₅
Molecular Mass
306.31382
Exact Mass
306.12157169
Charge
0
InChI
InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)/t12-/m0/s1
InChIKey
ZTUKZKYDJMGJDC-LBPRGKRZSA-N
Canonic Smiles
O=C(OCc1ccccc1)NCC(=O)N1CCC[C@H]1C(=O)O
Isomeric Smiles
c1ccc(cc1)COC(=O)NCC(=O)N1CCC[C@H]1C(=O)O
Calculated Properties
JChem
Acid pKa
3.5404766
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.2014467
LogD (pH = 7.4)
-2.6116161
Log P
0.75128186
Molar Refractivity
76.6699
Polarizability
29.888927
Polar Surface Area
95.94
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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