Molecule

ID:110269

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂
Molecular Mass
184.23708
Exact Mass
184.10004839
Charge
0
InChI
InChI=1S/C12H12N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h3-10H,1-2H2
InChIKey
DQRKTVIJNCVZAX-UHFFFAOYSA-N
Canonic Smiles
n1ccc(cc1)CCc1ccncc1
Isomeric Smiles
C(Cc1ccncc1)c1ccncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4022076
LogD (pH = 7.4)
2.0596342
Log P
2.0742636
Molar Refractivity
56.0824
Polarizability
21.672548
Polar Surface Area
25.78
Rotatable Bonds
3
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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