Molecule

ID:24337

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇N₃O
Molecular Mass
159.22938
Exact Mass
159.13716218
Charge
0
InChI
InChI=1S/C7H17N3O/c1-7(2,3)9-5-4-6(11)10-8/h9H,4-5,8H2,1-3H3,(H,10,11)
InChIKey
MNVDWSXWZIODSS-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCNC(C)(C)C
Isomeric Smiles
C(=O)(CCNC(C)(C)C)NN
Calculated Properties
JChem
Acid pKa
13.473529
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-3.7420936
LogD (pH = 7.4)
-2.9487293
Log P
-0.52734107
Molar Refractivity
45.5893
Polarizability
17.785816
Polar Surface Area
67.15
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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