Molecule

ID:24431

General Information
Structure
MolImage
Molecular Formula
C₉H₂₂N₂
Molecular Mass
158.28438
Exact Mass
158.17829871
Charge
0
InChI
InChI=1S/C9H22N2/c1-5-10-7-6-8-11-9(2,3)4/h10-11H,5-8H2,1-4H3
InChIKey
WABQHCAIVKPFLV-UHFFFAOYSA-N
Canonic Smiles
CCNCCCNC(C)(C)C
Isomeric Smiles
C(NCCCNCC)(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.2413034
LogD (pH = 7.4)
-3.4622655
Log P
0.9134455
Molar Refractivity
50.8374
Polarizability
20.399456
Polar Surface Area
24.06
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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