Molecule

ID:61483

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅N₃O
Molecular Mass
145.2028
Exact Mass
145.12151212
Charge
0
InChI
InChI=1S/C6H15N3O/c7-8-1-2-9-3-5-10-6-4-9/h8H,1-7H2
InChIKey
MEXIDHXEOHJKLS-UHFFFAOYSA-N
Canonic Smiles
NNCCN1CCOCC1
Isomeric Smiles
C1N(CCNN)CCOC1
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.0232782
LogD (pH = 7.4)
-1.0580765
Log P
-1.0099702
Molar Refractivity
51.9893
Polarizability
16.126284
Polar Surface Area
50.52
Rotatable Bonds
3
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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