Molecule

ID:15860

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-12-7-9-13-8-6-10-4-2-3-5-11(10)13/h2-6,8,12H,7,9H2,1H3
InChIKey
UQUBPLJUCVWGOX-UHFFFAOYSA-N
Canonic Smiles
CNCCn1ccc2c1cccc2
Isomeric Smiles
c1cn(c2c1cccc2)CCNC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2934343
LogD (pH = 7.4)
-0.68507373
Log P
1.9312805
Molar Refractivity
54.7656
Polarizability
22.616915
Polar Surface Area
16.96
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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