Molecule

ID:51375

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂
Molecular Mass
184.23708
Exact Mass
184.10004839
Charge
0
InChI
InChI=1S/C12H12N2/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14-12/h1-5,8-10H,6-7H2
InChIKey
LQWPAMNCTNMMDB-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCc1nccnc1
Isomeric Smiles
n1c(CCc2ccccc2)cncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9481573
LogD (pH = 7.4)
1.9481794
Log P
1.9481796
Molar Refractivity
55.6586
Polarizability
21.68088
Polar Surface Area
25.78
Rotatable Bonds
3
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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