Molecule

ID:101264

General Information
Structure
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-12-8-9-3-4-10-5-6-13(2)11(10)7-9/h3-7,12H,8H2,1-2H3
InChIKey
ODIDITAYVOGYIV-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc2c(c1)n(C)cc2
Isomeric Smiles
n1(c2c(cc1)ccc(c2)CNC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3440143
LogD (pH = 7.4)
-0.4137574
Log P
1.8540328
Molar Refractivity
55.2892
Polarizability
22.612364
Polar Surface Area
16.96
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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