Molecule

ID:15861

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-9-8-10-4-2-3-5-11(10)13(9)7-6-12/h2-5,8H,6-7,12H2,1H3
InChIKey
PZTWBKQLMZMJDN-UHFFFAOYSA-N
Canonic Smiles
NCCn1c(C)cc2c1cccc2
Isomeric Smiles
c1c(n(c2c1cccc2)CCN)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3053523
LogD (pH = 7.4)
-0.5182621
Log P
1.6982614
Molar Refractivity
55.1407
Polarizability
22.531288
Polar Surface Area
30.95
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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