Molecule

ID:66620

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7,12H2
InChIKey
OOIAXMPVZJKJHK-UHFFFAOYSA-N
Canonic Smiles
NCCCc1c[nH]c2c1cccc2
Isomeric Smiles
[nH]1cc(c2ccccc12)CCCN
Calculated Properties
JChem
Acid pKa
17.307821
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.0889823
LogD (pH = 7.4)
-0.56650203
Log P
1.9310061
Molar Refractivity
54.9739
Polarizability
22.61977
Polar Surface Area
41.81
Rotatable Bonds
3
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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