Molecule

ID:15770

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O₂
Molecular Mass
228.33116
Exact Mass
228.18377802
Charge
0
InChI
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14(4)9-10-5-7-13-8-6-10/h10,13H,5-9H2,1-4H3
InChIKey
ZREUHPKGCXOWCK-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)OC(C)(C)C)CC1CCNCC1
Isomeric Smiles
C1C(CCNC1)CN(C(=O)OC(C)(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0265918
LogD (pH = 7.4)
-1.3589313
Log P
1.1946735
Molar Refractivity
64.6629
Polarizability
25.531202
Polar Surface Area
41.57
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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