Molecule

ID:60958

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O₂
Molecular Mass
184.23554
Exact Mass
184.12117776
Charge
0
InChI
InChI=1S/C9H16N2O2/c12-9(13)5-7-11-8-4-2-1-3-6-10-8/h1-7H2,(H,10,11)(H,12,13)
InChIKey
TZHUHCUUWHWQDW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCNC1=NCCCCC1
Isomeric Smiles
N1=C(NCCC(=O)O)CCCCC1
Calculated Properties
JChem
Acid pKa
4.177446
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.2896612
LogD (pH = 7.4)
-1.273203
Log P
-1.273111
Molar Refractivity
49.1977
Polarizability
18.985191
Polar Surface Area
61.69
Rotatable Bonds
3
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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