Molecule

ID:24416

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂N₂
Molecular Mass
88.15148
Exact Mass
88.10004839
Charge
0
InChI
InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3
InChIKey
QHJABUZHRJTCAR-UHFFFAOYSA-N
Canonic Smiles
CNCCCN
Isomeric Smiles
N(CCCN)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-6.7475743
LogD (pH = 7.4)
-4.821811
Log P
-0.92990255
Molar Refractivity
27.5086
Polarizability
11.1656475
Polar Surface Area
38.05
Rotatable Bonds
3
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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