Molecule

ID:117845

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂
Molecular Mass
172.22638
Exact Mass
172.10004839
Charge
0
InChI
InChI=1S/C11H12N2/c12-13-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,13H,8,12H2
InChIKey
ZCHQLJHNQLLRNW-UHFFFAOYSA-N
Canonic Smiles
NNCc1cccc2c1cccc2
Isomeric Smiles
c12c(CNN)cccc1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6655004
LogD (pH = 7.4)
1.8998543
Log P
1.9038355
Molar Refractivity
65.9585
Polarizability
22.67755
Polar Surface Area
38.05
Rotatable Bonds
2
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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