Molecule

ID:15054

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O₃
Molecular Mass
244.33056
Exact Mass
244.17869264
Charge
0
InChI
InChI=1S/C12H22N2O2.H2O/c1-13-6-4-11(5-7-13)14-8-2-10(3-9-14)12(15)16;/h10-11H,2-9H2,1H3,(H,15,16);1H2
InChIKey
PWSJDKALORYYAR-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)N1CCC(CC1)C(=O)O.O
Isomeric Smiles
N1(CCC(CC1)C(=O)O)C1CCN(CC1)C.O
Calculated Properties
JChem
Acid pKa
4.0183372
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.089225
LogD (pH = 7.4)
-2.6285691
Log P
-2.4608936
Molar Refractivity
63.8211
Polarizability
24.941086
Polar Surface Area
43.78
Rotatable Bonds
2
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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