Molecule

ID:108884

General Information
Structure
MolImage
Molecular Formula
C₇H₁₉N₃
Molecular Mass
145.24586
Exact Mass
145.15789762
Charge
0
InChI
InChI=1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3
InChIKey
KMBPCQSCMCEPMU-UHFFFAOYSA-N
Canonic Smiles
NCCCN(CCCN)C
Isomeric Smiles
CN(CCCN)CCCN
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-9.596202
LogD (pH = 7.4)
-6.9787164
Log P
-1.2838787
Molar Refractivity
45.6185
Polarizability
18.22489
Polar Surface Area
55.28
Rotatable Bonds
6
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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