Molecule

ID:76206

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)20-11-9-19(10-12-20)15(16(21)22)13-5-7-14(24-4)8-6-13/h5-8,15H,9-12H2,1-4H3,(H,21,22)
InChIKey
DCFDOKBNIXUWKP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(N1CCN(CC1)C(=O)OC(C)(C)C)C(=O)O
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCN(CC1)C(c1ccc(cc1)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
0.9714498
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.48088935
LogD (pH = 7.4)
-0.83009356
Log P
-0.47283632
Molar Refractivity
92.6443
Polarizability
36.347298
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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