Molecule

ID:69734

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂N₂
Molecular Mass
88.15148
Exact Mass
88.10004839
Charge
0
InChI
InChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3
InChIKey
DILRJUIACXKSQE-UHFFFAOYSA-N
Canonic Smiles
NCCN(C)C
Isomeric Smiles
C(CN)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.149258
LogD (pH = 7.4)
-2.8907795
Log P
-0.6068143
Molar Refractivity
27.9379
Polarizability
11.1656475
Polar Surface Area
29.26
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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