Molecule

ID:24423

General Information
Structure
MolImage
Molecular Formula
C₉H₂₂N₂
Molecular Mass
158.28438
Exact Mass
158.17829871
Charge
0
InChI
InChI=1S/C9H22N2/c1-4-10-8-7-9-11(5-2)6-3/h10H,4-9H2,1-3H3
InChIKey
BIESSHWVDLDLJM-UHFFFAOYSA-N
Canonic Smiles
CCNCCCN(CC)CC
Isomeric Smiles
N(CCCNCC)(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.1582203
LogD (pH = 7.4)
-3.1221077
Log P
0.95614964
Molar Refractivity
51.8237
Polarizability
20.399456
Polar Surface Area
15.27
Rotatable Bonds
7
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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