Molecule

ID:106954

General Information
Structure
Molecular Formula
C₁₀H₂₀N₂O
Molecular Mass
184.2786
Exact Mass
184.15756327
Charge
0
InChI
InChI=1S/C10H20N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h9,11H,3-8H2,1-2H3
InChIKey
ZXQKYQVJDRTTLZ-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C1CCCNC1)CC
Isomeric Smiles
CCN(CC)C(=O)C1CCCNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7958312
LogD (pH = 7.4)
-1.7773994
Log P
0.39016506
Molar Refractivity
54.0341
Polarizability
21.152966
Polar Surface Area
32.34
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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