Molecule

ID:47760

General Information
Structure
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Molecular Formula
C₈H₁₂N₂
Molecular Mass
136.19428
Exact Mass
136.10004839
Charge
0
InChI
InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
InChIKey
BZORFPDSXLZWJF-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)N)C
Isomeric Smiles
c1(N(C)C)ccc(N)cc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.16
LogD (pH = 5.5)
-0.05
Log P
1.25
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
6.79
Polar Surface Area
29.26
Polarizability
15.80
Molar Refractivity
45.19
LOG S
-1.06
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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