Molecule

ID:51044

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₂
Molecular Mass
200.278
Exact Mass
200.15247789
Charge
0
InChI
InChI=1S/C10H20N2O2/c1-2-14-10(13)9-4-3-6-12(8-9)7-5-11/h9H,2-8,11H2,1H3
InChIKey
GNAHERATGIWCSH-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCCC(C1)C(=O)OCC
Isomeric Smiles
C1(C(=O)OCC)CN(CCC1)CCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.895526
LogD (pH = 7.4)
-1.9271433
Log P
0.12490577
Molar Refractivity
55.6835
Polarizability
22.239014
Polar Surface Area
55.56
Rotatable Bonds
5
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
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References
Bioactivity
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