Molecule

ID:34039

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O
Molecular Mass
184.2786
Exact Mass
184.15756327
Charge
0
InChI
InChI=1S/C10H20N2O/c1-8(2)6-10(13)12-5-3-4-9(11)7-12/h8-9H,3-7,11H2,1-2H3
InChIKey
TZKNDZVHVOCMQJ-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)N1CCCC(C1)N)C
Isomeric Smiles
N1(C(=O)CC(C)C)CC(N)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4616797
LogD (pH = 7.4)
-1.4603647
Log P
0.51776814
Molar Refractivity
53.1968
Polarizability
21.152966
Polar Surface Area
46.33
Rotatable Bonds
2
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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