Molecule

ID:30625

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O₂
Molecular Mass
228.33116
Exact Mass
228.18377802
Charge
0
InChI
InChI=1S/C12H21NO2.H3N/c14-11(15)12(7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10H2,(H,14,15);1H3
InChIKey
YHFRZNRBMGDEAT-UHFFFAOYSA-N
Canonic Smiles
[O-]C(=O)C1(CCCCC1)N1CCCCC1.[NH4+]
Isomeric Smiles
C1(N2CCCCC2)(C(=O)[O-])CCCCC1.[NH4+]
Calculated Properties
JChem
Acid pKa
1.9577976
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.18497293
LogD (pH = 7.4)
-0.18492398
Log P
-0.18489352
Molar Refractivity
70.1058
Polarizability
23.301903
Polar Surface Area
43.37
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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