Molecule

ID:13530

General Information
Structure
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-6(8)7-3-2-4-9-5-7/h2-6H,8H2,1H3
InChIKey
IQVQNBXPYJGNEA-UHFFFAOYSA-N
Canonic Smiles
CC(c1cccnc1)N
Isomeric Smiles
c1(C(N)C)cnccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6807284
LogD (pH = 7.4)
-1.6611396
Log P
0.29791686
Molar Refractivity
36.7933
Polarizability
14.649884
Polar Surface Area
38.91
Rotatable Bonds
1
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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