Molecule

ID:69120

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H,6,11H2
InChIKey
TXMHNJDESIWXIA-UHFFFAOYSA-N
Canonic Smiles
NCc1ncc2c(c1)cccc2
Isomeric Smiles
C(N)c1ncc2c(c1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7642026
LogD (pH = 7.4)
-0.17682584
Log P
0.9522905
Molar Refractivity
48.3025
Polarizability
20.42087
Polar Surface Area
38.91
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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