Molecule

ID:63201

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂N₂
Molecular Mass
100.16218
Exact Mass
100.10004839
Charge
0
InChI
InChI=1S/C5H12N2/c1-7-3-2-5(6)4-7/h5H,2-4,6H2,1H3
InChIKey
UNHOPMIDKWXFMF-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(C1)N
Isomeric Smiles
N1(CC(N)CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.3821025
LogD (pH = 7.4)
-3.2058868
Log P
-0.6586125
Molar Refractivity
30.5045
Polarizability
12.272833
Polar Surface Area
29.26
Rotatable Bonds
0
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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