Molecule

ID:58105

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-8-9-5-3-4-6-10(9)13-11(8)7-12-2/h3-6,12-13H,7H2,1-2H3
InChIKey
LLEMUFNSHIFWGM-UHFFFAOYSA-N
Canonic Smiles
CNCc1[nH]c2c(c1C)cccc2
Isomeric Smiles
c1ccc2[nH]c(c(c2c1)C)CNC
Calculated Properties
JChem
Acid pKa
16.771784
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.0885106
LogD (pH = 7.4)
0.10152519
Log P
2.063779
Molar Refractivity
55.3112
Polarizability
22.617294
Polar Surface Area
27.82
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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