Molecule

ID:51202

General Information
Structure
Molecular Formula
C₉H₁₈N₂O₂
Molecular Mass
186.25142
Exact Mass
186.13682783
Charge
0
InChI
InChI=1S/C9H18N2O2/c1-2-10-9(13)11-6-4-3-5-8(11)7-12/h8,12H,2-7H2,1H3,(H,10,13)
InChIKey
IIKRAQURLLQFKE-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)N1CCCCC1CO
Isomeric Smiles
N1(C(=O)NCC)C(CO)CCCC1
Calculated Properties
JChem
Acid pKa
14.974595
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.11596668
LogD (pH = 7.4)
-0.115966536
Log P
-0.11596652
Molar Refractivity
50.6858
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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