Molecule

ID:15632

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-12-8-10-7-9-5-3-4-6-11(9)13(10)2/h3-7,12H,8H2,1-2H3
InChIKey
BMINWSYCLTUQSH-UHFFFAOYSA-N
Canonic Smiles
CNCc1cc2c(n1C)cccc2
Isomeric Smiles
c1ccc2c(c1)n(c(c2)CNC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3654681
LogD (pH = 7.4)
-0.12756559
Log P
1.7740338
Molar Refractivity
55.1667
Polarizability
22.613705
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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