Molecule

ID:66050

General Information
Structure
Molecular Formula
C₁₁H₁₄N₂
Molecular Mass
174.24226
Exact Mass
174.11569846
Charge
0
InChI
InChI=1S/C11H14N2/c1-9-4-6-10(7-5-9)13-11(2,3)8-12/h4-7,13H,1-3H3
InChIKey
PGYLXQINAHJFEZ-UHFFFAOYSA-N
Canonic Smiles
N#CC(Nc1ccc(cc1)C)(C)C
Isomeric Smiles
N#CC(Nc1ccc(cc1)C)(C)C
Calculated Properties
JChem
Acid pKa
15.41471
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4967518
LogD (pH = 7.4)
2.4969056
Log P
2.4969077
Molar Refractivity
55.5641
Polarizability
20.450785
Polar Surface Area
35.82
Rotatable Bonds
2
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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