Molecule

ID:124608

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H,11H2
InChIKey
GDMZHPUPLWQIBD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1n1cccc1
Isomeric Smiles
n1(c2c(N)cccc2)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0010877
LogD (pH = 7.4)
2.1043475
Log P
2.1058385
Molar Refractivity
60.5108
Polarizability
19.506695
Polar Surface Area
30.95
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
References
Bioactivity
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