Molecule

ID:118468

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O₄
Molecular Mass
256.2982
Exact Mass
256.14230713
Charge
0
InChI
InChI=1S/C12H20N2O4/c15-11(16)3-4-13-5-7-14(8-6-13)12(17)10-2-1-9-18-10/h10H,1-9H2,(H,15,16)
InChIKey
CGJFVIFIDBVNOD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN1CCN(CC1)C(=O)C1CCCO1
Isomeric Smiles
C(=O)(N1CCN(CCC(=O)O)CC1)C1OCCC1
Calculated Properties
JChem
Acid pKa
3.2515244
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.236494
LogD (pH = 7.4)
-3.5229123
Log P
-3.2367773
Molar Refractivity
64.8331
Polarizability
25.40109
Polar Surface Area
70.08
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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