Molecule

ID:3231

General Information
Structure
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Molecular Formula
C₇H₁₉N₃
Molecular Mass
145.24586
Exact Mass
145.15789762
Charge
0
InChI
InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
InChIKey
ATHGHQPFGPMSJY-UHFFFAOYSA-N
Canonic Smiles
NCCCNCCCCN
Isomeric Smiles
NCCCCNCCCN
Calculated Properties
JChem
LogD (pH = 7.4)
-7.40
LogD (pH = 5.5)
-9.87
Log P
-1.15
Rotatable Bonds
7
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
10.68
Polar Surface Area
64.07
Polarizability
18.80
Molar Refractivity
44.97
LOG S
0.83
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
No Data Available
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Molecule Details
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References
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Bioactivity
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