Molecule

ID:89352

General Information
Structure
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Molecular Formula
C₅H₁₂N₂
Molecular Mass
100.16218
Exact Mass
100.10004839
Charge
0
InChI
InChI=1S/C5H12N2/c6-5-1-3-7-4-2-5/h5,7H,1-4,6H2
InChIKey
BCIIMDOZSUCSEN-UHFFFAOYSA-N
Canonic Smiles
NC1CCNCC1
Isomeric Smiles
N1CCC(CC1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-6.9668813
LogD (pH = 7.4)
-5.1495876
Log P
-0.98170066
Molar Refractivity
30.0752
Polarizability
12.272833
Polar Surface Area
38.05
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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