Molecule

ID:65947

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₃O₂
Molecular Mass
211.26088
Exact Mass
211.1320768
Charge
0
InChI
InChI=1S/C10H17N3O2/c1-9(2,3)15-8(14)13-5-4-10(12,6-11)7-13/h4-5,7,12H2,1-3H3
InChIKey
NFLVTBMZGLRSPT-UHFFFAOYSA-N
Canonic Smiles
N#CC1(N)CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(CC1)(N)C#N)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5690209
LogD (pH = 7.4)
-0.009233384
Log P
0.005611968
Molar Refractivity
55.3086
Polarizability
21.725042
Polar Surface Area
79.35
Rotatable Bonds
2
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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