Molecule

ID:66869

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂
Molecular Mass
136.19428
Exact Mass
136.10004839
Charge
0
InChI
InChI=1S/C8H12N2/c1-7-8-3-2-5-10(8)6-4-9-7/h2-3,5,7,9H,4,6H2,1H3
InChIKey
JPXCPEMQVOKKFV-UHFFFAOYSA-N
Canonic Smiles
CC1NCCn2c1ccc2
Isomeric Smiles
c12C(NCCn1ccc2)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.7162527
LogD (pH = 7.4)
-0.011129513
Log P
1.000206
Molar Refractivity
41.2888
Polarizability
16.123169
Polar Surface Area
16.96
Rotatable Bonds
0
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
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References
Bioactivity
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