Molecule

ID:67323

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₂
Molecular Mass
200.278
Exact Mass
200.15247789
Charge
0
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7,11H2,1-3H3
InChIKey
SOGXYCNKQQJEED-UHFFFAOYSA-N
Canonic Smiles
NCC1CCCN1C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(CCC1)CN)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1848848
LogD (pH = 7.4)
-0.99901706
Log P
0.75889534
Molar Refractivity
54.8495
Polarizability
21.854008
Polar Surface Area
55.56
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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