Molecule

ID:24343

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂
Molecular Mass
178.27402
Exact Mass
178.14699859
Charge
0
InChI
InChI=1S/C11H18N2/c1-10(13-9-5-8-12)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,8-9,12H2,1H3
InChIKey
NQONXAAXIFYYMX-UHFFFAOYSA-N
Canonic Smiles
NCCCNC(c1ccccc1)C
Isomeric Smiles
c1(C(NCCCN)C)ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.717249
LogD (pH = 7.4)
-2.7399
Log P
1.2111456
Molar Refractivity
56.54
Polarizability
22.65042
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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