Molecule

ID:109785

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂
Molecular Mass
182.2212
Exact Mass
182.08439833
Charge
0
InChI
InChI=1S/C12H10N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H
InChIKey
MGFJDEHFNMWYBD-UHFFFAOYSA-N
Canonic Smiles
n1ccc(cc1)/C=C/c1ccncc1
Isomeric Smiles
c1cc(ccn1)/C=C/c1ccncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5132538
LogD (pH = 7.4)
1.8716944
Log P
1.877742
Molar Refractivity
57.199
Polarizability
21.75191
Polar Surface Area
25.78
Rotatable Bonds
2
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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