Molecule

ID:57378

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂
Molecular Mass
178.27402
Exact Mass
178.14699859
Charge
0
InChI
InChI=1S/C11H18N2/c1-10-3-5-11(6-4-10)9-13-8-2-7-12/h3-6,13H,2,7-9,12H2,1H3
InChIKey
WUSFNOHQQLRSCV-UHFFFAOYSA-N
Canonic Smiles
NCCCNCc1ccc(cc1)C
Isomeric Smiles
c1cc(ccc1C)CNCCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.6029334
LogD (pH = 7.4)
-2.6073556
Log P
1.307992
Molar Refractivity
57.1624
Polarizability
22.569073
Polar Surface Area
38.05
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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