Molecule

ID:90748

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O₂
Molecular Mass
228.33116
Exact Mass
228.18377802
Charge
0
InChI
InChI=1S/C12H24N2O2/c1-5-13-10-7-6-8-14(9-10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3/t10-/m1/s1
InChIKey
APWWQUZRVODKQP-SNVBAGLBSA-N
Canonic Smiles
CCN[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CCC[C@H](C1)NCC)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6584791
LogD (pH = 7.4)
-0.80767435
Log P
1.5482837
Molar Refractivity
64.3727
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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