Molecule

ID:40278

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)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKey
JOJBGPBSHQZRDA-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)CN1CCNCC1
Isomeric Smiles
C(=O)(OC(C)(C)C)CN1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.784232
LogD (pH = 7.4)
-1.4715397
Log P
0.33207813
Molar Refractivity
55.4028
Polarizability
22.239014
Polar Surface Area
41.57
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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