Molecule
ID:122784
General Information
Molecular Formula
C₁₉H₂₈N₂O₆
Molecular Mass
380.43542
Exact Mass
380.19473663
Charge
0
InChI
InChI=1S/C19H28N2O6/c1-25-15-8-7-14(18(26-2)19(15)27-3)13-20-9-11-21(12-10-20)16(22)5-4-6-17(23)24/h7-8H,4-6,9-13H2,1-3H3,(H,23,24)
InChIKey
OXCOLXOEMSJAAK-UHFFFAOYSA-N
Canonic Smiles
COc1c(ccc(c1OC)OC)CN1CCN(CC1)C(=O)CCCC(=O)O
Isomeric Smiles
c1(c(c(CN2CCN(C(=O)CCCC(=O)O)CC2)ccc1OC)OC)OC
Calculated Properties
JChem
Acid pKa
4.091077
H Acceptors
7
H Donor
1
LogD (pH = 5.5)
-1.1286093
LogD (pH = 7.4)
-2.2976851
Log P
-1.0704548
Molar Refractivity
99.8059
Polarizability
38.87851
Polar Surface Area
88.54
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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