Molecule

ID:21217

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆N₂O₅
Molecular Mass
350.40944
Exact Mass
350.18417194
Charge
0
InChI
InChI=1S/C18H26N2O5/c1-18(2,3)25-17(23)20-11-14(10-15(20)16(21)22)24-13-8-6-7-12(9-13)19(4)5/h6-9,14-15H,10-11H2,1-5H3,(H,21,22)/t14-,15-/m0/s1
InChIKey
MNVAFNQGORGUKW-GJZGRUSLSA-N
Canonic Smiles
CN(c1cccc(c1)O[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@@H](C1)Oc1cc(N(C)C)ccc1
Calculated Properties
JChem
Acid pKa
3.4596925
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.64892095
LogD (pH = 7.4)
-0.83440435
Log P
1.7485977
Molar Refractivity
93.0658
Polarizability
35.979446
Polar Surface Area
79.31
Rotatable Bonds
6
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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