Molecule

ID:116496

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O
Molecular Mass
168.23614
Exact Mass
168.12626314
Charge
0
InChI
InChI=1S/C9H16N2O/c10-7-5-9(12)11(6-7)8-3-1-2-4-8/h7-8H,1-6,10H2
InChIKey
NAXXXUBOAYFUGT-UHFFFAOYSA-N
Canonic Smiles
NC1CC(=O)N(C1)C1CCCC1
Isomeric Smiles
N1(C(=O)CC(C1)N)C1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9800677
LogD (pH = 7.4)
-1.8331785
Log P
-0.02710931
Molar Refractivity
46.4328
Polarizability
18.585028
Polar Surface Area
46.33
Rotatable Bonds
1
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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