Molecule

ID:118326

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂
Molecular Mass
178.27402
Exact Mass
178.14699859
Charge
0
InChI
InChI=1S/C11H18N2/c1-13(2)11-7-5-10(6-8-11)4-3-9-12/h5-8H,3-4,9,12H2,1-2H3
InChIKey
FDADHKBMNOCRMW-UHFFFAOYSA-N
Canonic Smiles
NCCCc1ccc(cc1)N(C)C
Isomeric Smiles
c1(N(C)C)ccc(cc1)CCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3180637
LogD (pH = 7.4)
-0.56122667
Log P
1.940288
Molar Refractivity
58.316
Polarizability
22.164495
Polar Surface Area
29.26
Rotatable Bonds
4
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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