Molecule

ID:3424

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₃
Molecular Mass
214.26152
Exact Mass
214.13174245
Charge
0
InChI
InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1
InChIKey
AUTOLBMXDDTRRT-JGVFFNPUSA-N
Canonic Smiles
OC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C
Isomeric Smiles
C1(=O)N[C@@H]([C@@H](N1)C)CCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.97
LogD (pH = 5.5)
-0.19
Log P
0.73
Rotatable Bonds
6
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.63
Polar Surface Area
78.43
Polarizability
23.15
Molar Refractivity
54.40
LOG S
-1.08
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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