Molecule

ID:91073

General Information
Structure
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Molecular Formula
C₄H₁₂N₂
Molecular Mass
88.15148
Exact Mass
88.10004839
Charge
0
InChI
InChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3
InChIKey
SCZVXVGZMZRGRU-UHFFFAOYSA-N
Canonic Smiles
NCCNCC
Isomeric Smiles
N(CCN)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.4251704
LogD (pH = 7.4)
-3.4254284
Log P
-0.6330543
Molar Refractivity
27.3918
Polarizability
11.1656475
Polar Surface Area
38.05
Rotatable Bonds
3
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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