Molecule

ID:47683

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂
Molecular Mass
178.27402
Exact Mass
178.14699859
Charge
0
InChI
InChI=1S/C11H18N2/c1-4-13(5-2)11-7-6-9(3)8-10(11)12/h6-8H,4-5,12H2,1-3H3
InChIKey
FXBGZOIAEQTWCX-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1N)C)CC
Isomeric Smiles
c1(c(cc(cc1)C)N)N(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9303901
LogD (pH = 7.4)
2.4656963
Log P
2.479401
Molar Refractivity
59.7254
Polarizability
21.763159
Polar Surface Area
29.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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