Molecule

ID:136283

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇N₃O₂
Molecular Mass
199.25018
Exact Mass
199.1320768
Charge
0
InChI
InChI=1S/C6H11N2.C3H7NO2/c1-3-8-5-4-7(2)6-8;1-2(4)3(5)6/h4-6H,3H2,1-2H3;2H,4H2,1H3,(H,5,6)/q+1;/p-1/t;2-/m.0/s1
InChIKey
NJYVKYFXBDKITN-WNQIDUERSA-M
Canonic Smiles
[O-]C(=O)[C@@H](N)C.CCn1cc[n+](c1)C
Isomeric Smiles
CCn1cc[n+](c1)C.C[C@@H](C(=O)[O-])N
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-3.1130686
LogD (pH = 7.4)
-3.1130686
Log P
-3.1130686
Molar Refractivity
33.6013
Polarizability
12.75589
Polar Surface Area
8.81
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
References
Bioactivity
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