Molecule

ID:17441

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂
Molecular Mass
162.23156
Exact Mass
162.11569846
Charge
0
InChI
InChI=1S/C10H14N2/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7,11H2
InChIKey
DNPBFTQZONVQDX-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)N1CCCC1
Isomeric Smiles
c1(N2CCCC2)cc(ccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3304049
LogD (pH = 7.4)
1.6520292
Log P
1.6581612
Molar Refractivity
52.728
Polarizability
19.25901
Polar Surface Area
29.26
Rotatable Bonds
1
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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