Molecule

ID:28450

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O
Molecular Mass
170.25202
Exact Mass
170.14191321
Charge
0
InChI
InChI=1S/C9H18N2O/c1-7(2)9(12)11-5-3-8(10)4-6-11/h7-8H,3-6,10H2,1-2H3
InChIKey
LULDRPDOMFMBIC-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)N1CCC(CC1)N)C
Isomeric Smiles
N1(C(=O)C(C)C)CCC(CC1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1460633
LogD (pH = 7.4)
-2.5771294
Log P
-0.12823628
Molar Refractivity
48.8425
Polarizability
19.311396
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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