Molecule

ID:54062

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇N₃O₂
Molecular Mass
175.22878
Exact Mass
175.1320768
Charge
0
InChI
InChI=1S/C5H13N3.C2H4O2/c1-3-8(4-2)5(6)7;1-2(3)4/h3-4H2,1-2H3,(H3,6,7);1H3,(H,3,4)
InChIKey
UOCKPLMOCAHXSO-UHFFFAOYSA-N
Canonic Smiles
CC(=O)O.CCN(C(=N)N)CC
Isomeric Smiles
CCN(C(=N)N)CC.CC(=O)O
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.3990927
LogD (pH = 7.4)
-2.3987708
Log P
0.01636236
Molar Refractivity
45.4253
Polarizability
12.938409
Polar Surface Area
53.11
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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