Molecule

ID:117084

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₂
Molecular Mass
182.21966
Exact Mass
182.1055277
Charge
0
InChI
InChI=1S/C9H14N2O2/c1-11-6-7(12)10-9(8(11)13)4-2-3-5-9/h2-6H2,1H3,(H,10,12)
InChIKey
ZHEIXGWEQIILBB-UHFFFAOYSA-N
Canonic Smiles
O=C1CN(C)C(=O)C2(N1)CCCC2
Isomeric Smiles
C1(=O)N(CC(=O)NC21CCCC2)C
Calculated Properties
JChem
Acid pKa
11.172628
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.4040422
LogD (pH = 7.4)
-0.40410635
Log P
-0.4040414
Molar Refractivity
46.9567
Polarizability
18.313353
Polar Surface Area
49.41
Rotatable Bonds
0
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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