Molecule

ID:47807

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂
Molecular Mass
150.22086
Exact Mass
150.11569846
Charge
0
InChI
InChI=1S/C9H14N2/c1-7-6-8(10)4-5-9(7)11(2)3/h4-6H,10H2,1-3H3
InChIKey
JHGFAGAHQPLGOQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)N(C)C
Isomeric Smiles
c1(c(cc(cc1)N)C)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.31178585
LogD (pH = 7.4)
1.6318301
Log P
1.7657851
Molar Refractivity
50.2282
Polarizability
18.070278
Polar Surface Area
29.26
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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