Molecule

ID:68047

General Information
Structure
Molecular Formula
C₅H₁₂N₂
Molecular Mass
100.16218
Exact Mass
100.10004839
Charge
0
InChI
InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2
InChIKey
FQUYSHZXSKYCSY-UHFFFAOYSA-N
Canonic Smiles
C1CNCCNC1
Isomeric Smiles
N1CCNCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.747116
LogD (pH = 7.4)
-3.6982186
Log P
-0.6688471
Molar Refractivity
30.3142
Polarizability
12.272833
Polar Surface Area
24.06
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
No Data Available
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Molecule Details
References
Bioactivity
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