Molecule

ID:44774

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂
Molecular Mass
134.1784
Exact Mass
134.08439833
Charge
0
InChI
InChI=1S/C8H10N2/c1-3-7(9-5-1)8-4-2-6-10-8/h1,3,5,9H,2,4,6H2
InChIKey
DTZKPTFBAXPYOT-UHFFFAOYSA-N
Canonic Smiles
C1CN=C(C1)c1ccc[nH]1
Isomeric Smiles
c1(C2=NCCC2)[nH]ccc1
Calculated Properties
JChem
Acid pKa
15.777237
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.3432089
LogD (pH = 7.4)
0.89264137
Log P
0.9941191
Molar Refractivity
40.9462
Polarizability
15.392816
Polar Surface Area
28.15
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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