Molecule

ID:85840

General Information
Structure
MolImage
Molecular Formula
C₅H₁₅N₃
Molecular Mass
117.1927
Exact Mass
117.1265975
Charge
0
InChI
InChI=1S/C5H15N3/c6-2-1-4-8-5-3-7/h8H,1-7H2
InChIKey
DTSDBGVDESRKKD-UHFFFAOYSA-N
Canonic Smiles
NCCNCCCN
Isomeric Smiles
N(CCCN)CCN
Calculated Properties
JChem
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-8.483777
LogD (pH = 7.4)
-6.30768
Log P
-1.7268864
Molar Refractivity
35.4584
Polarizability
14.532438
Polar Surface Area
64.07
Rotatable Bonds
5
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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