Molecule

ID:57213

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h1-6H,7,11H2
InChIKey
RZIPENSSTUBRAA-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc2c(c1)cccn2
Isomeric Smiles
c1(ccc2c(c1)cccn2)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7434987
LogD (pH = 7.4)
-0.7339935
Log P
1.2566689
Molar Refractivity
48.4527
Polarizability
20.425728
Polar Surface Area
38.91
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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