Molecule

ID:118122

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-2-13-8-9(7-12)10-5-3-4-6-11(10)13/h3-6,8H,2,7,12H2,1H3
InChIKey
SPDDNLHZSJKVJQ-UHFFFAOYSA-N
Canonic Smiles
NCc1cn(c2c1cccc2)CC
Isomeric Smiles
n1(cc(c2c1cccc2)CN)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2276902
LogD (pH = 7.4)
-0.46927416
Log P
1.7782602
Molar Refractivity
55.2632
Polarizability
22.613363
Polar Surface Area
30.95
Rotatable Bonds
2
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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