Molecule

ID:14870

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO₅
Molecular Mass
259.29884
Exact Mass
259.14197278
Charge
0
InChI
InChI=1S/C10H19NO.C2H2O4/c1-2-5-9(4-1)11-8-10-6-3-7-12-10;3-1(4)2(5)6/h9-11H,1-8H2;(H,3,4)(H,5,6)
InChIKey
OMXWLJFWZDDFFT-UHFFFAOYSA-N
Canonic Smiles
C1CCC(C1)NCC1CCCO1.OC(=O)C(=O)O
Isomeric Smiles
C1CC(OC1)CNC1CCCC1.O=C(O)C(=O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6466672
LogD (pH = 7.4)
-1.0845702
Log P
1.5804124
Molar Refractivity
49.3613
Polarizability
19.910645
Polar Surface Area
21.26
Rotatable Bonds
4
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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