Molecule

ID:75707

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-11(2,3)9-8-13-7-5-4-6-10(13)12-9/h4-8H,1-3H3
InChIKey
PGLHGXMDGUTQON-UHFFFAOYSA-N
Canonic Smiles
CC(c1nc2n(c1)cccc2)(C)C
Isomeric Smiles
n1c2n(cccc2)cc1C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9078474
LogD (pH = 7.4)
2.6591153
Log P
2.690456
Molar Refractivity
54.2303
Polarizability
20.588152
Polar Surface Area
17.3
Rotatable Bonds
1
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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