Molecule

ID:105659

General Information
Structure
MolImage
Molecular Formula
C₁₂H₃₂N₄O₂
Molecular Mass
264.40808
Exact Mass
264.25252628
Charge
0
InChI
InChI=1S/2C6H15N.2HNO/c2*1-5(2)7-6(3)4;2*1-2/h2*5-7H,1-4H3;2*1H
InChIKey
TUGCHNLNGIISFG-UHFFFAOYSA-N
Canonic Smiles
CC(NC(C)C)C.CC(NC(C)C)C.O=N.O=N
Isomeric Smiles
CC(C)NC(C)C.CC(C)NC(C)C.N=O.N=O
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.8835524
LogD (pH = 7.4)
-1.6228405
Log P
1.3538874
Molar Refractivity
33.0282
Polarizability
13.342089
Polar Surface Area
12.03
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
No Data Available
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Molecule Details
References
Bioactivity
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