Molecule

ID:62265

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O₃
Molecular Mass
226.27222
Exact Mass
226.13174245
Charge
0
InChI
InChI=1S/C11H18N2O3/c1-12-4-2-8(3-5-12)10(14)13-6-9(7-13)11(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKey
CEEXQSKCKYVGEU-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)C(=O)N1CC(C1)C(=O)O
Isomeric Smiles
N1(C(=O)C2CCN(CC2)C)CC(C1)C(=O)O
Calculated Properties
JChem
Molar Refractivity
58.8575
Polarizability
22.83557
Polar Surface Area
60.85
Rotatable Bonds
2
Lipinski's Rule of Five
true
Acid pKa
3.9415507
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.3380957
LogD (pH = 7.4)
-3.3427699
Log P
-3.3318164
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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