Molecule

ID:51203

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₂
Molecular Mass
186.25142
Exact Mass
186.13682783
Charge
0
InChI
InChI=1S/C9H18N2O2/c1-2-10-9(13)11-5-3-4-8(6-11)7-12/h8,12H,2-7H2,1H3,(H,10,13)
InChIKey
SHCSIQIRXGRAJP-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)N1CCCC(C1)CO
Isomeric Smiles
N1(C(=O)NCC)CC(CO)CCC1
Calculated Properties
JChem
Acid pKa
15.211428
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.51578087
LogD (pH = 7.4)
-0.5157806
Log P
-0.5157806
Molar Refractivity
51.0248
Polarizability
19.568089
Polar Surface Area
52.57
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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