Molecule

ID:17559

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O
Molecular Mass
168.23614
Exact Mass
168.12626314
Charge
0
InChI
InChI=1S/C9H16N2O/c10-8-3-5-11(6-4-8)9(12)7-1-2-7/h7-8H,1-6,10H2
InChIKey
GCYSQXZPDQBVCH-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C(=O)C1CC1
Isomeric Smiles
C(=O)(N1CCC(CC1)N)C1CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6097891
LogD (pH = 7.4)
-3.0408552
Log P
-0.59196216
Molar Refractivity
47.0403
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
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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