Molecule

ID:37784

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆N₂O₅
Molecular Mass
350.40944
Exact Mass
350.18417194
Charge
0
InChI
InChI=1S/C18H26N2O5/c1-10(2)25-18(24)15-11(3)16(19-12(15)4)17(23)20-7-5-13(6-8-20)9-14(21)22/h10,13,19H,5-9H2,1-4H3,(H,21,22)
InChIKey
IDAKFOPXMUZHIA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1CCN(CC1)C(=O)c1[nH]c(c(c1C)C(=O)OC(C)C)C
Isomeric Smiles
[nH]1c(c(c(c1C)C(=O)OC(C)C)C)C(=O)N1CCC(CC1)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.949499
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.46459648
LogD (pH = 7.4)
-1.1647476
Log P
2.0226784
Molar Refractivity
93.9067
Polarizability
35.26862
Polar Surface Area
99.7
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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