Molecule

ID:111756

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃N₂Se
Molecular Mass
180.13012
Exact Mass
181.02439443
Charge
0
InChI
InChI=1S/C5H12N2Se/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKey
NBMOASIYCXHBNT-UHFFFAOYSA-N
Canonic Smiles
CCNC(=[SeH])NCC
Isomeric Smiles
CCNC(=[SeH])NCC
Calculated Properties
JChem
Acid pKa
17.872988
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
1.0394
LogD (pH = 7.4)
1.0394
Log P
1.0394
Molar Refractivity
44.1052
Polarizability
12.524893
Polar Surface Area
24.06
Rotatable Bonds
4
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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