Molecule

ID:34166

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10/h2-4,7,13H,5-6,12H2,1H3
InChIKey
SGGBZKQTWMKXHD-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2c1[nH]cc2CCN
Isomeric Smiles
c1cc(c2c(c1)c(c[nH]2)CCN)C
Calculated Properties
JChem
Acid pKa
17.491219
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.007891
LogD (pH = 7.4)
-0.2730573
Log P
1.9998589
Molar Refractivity
55.4141
Polarizability
22.535849
Polar Surface Area
41.81
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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