Molecule

ID:115666

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-8-5-10-6-9(7-12)3-4-11(10)13(8)2/h3-6H,7,12H2,1-2H3
InChIKey
RBJKUVYKEPJFDP-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc2c(c1)cc(n2C)C
Isomeric Smiles
n1(c(cc2c1ccc(c2)CN)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3572881
LogD (pH = 7.4)
-0.34830418
Log P
1.6210136
Molar Refractivity
55.6643
Polarizability
22.526716
Polar Surface Area
30.95
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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