Molecule

ID:117847

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂
Molecular Mass
150.22086
Exact Mass
150.11569846
Charge
0
InChI
InChI=1S/C9H14N2/c1-7-3-4-8(2)9(5-7)6-11-10/h3-5,11H,6,10H2,1-2H3
InChIKey
KJOOVLJGVFOGOL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1CNN)C
Isomeric Smiles
c1(c(ccc(c1)C)C)CNN
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.717478
LogD (pH = 7.4)
1.937531
Log P
1.9412016
Molar Refractivity
59.5907
Polarizability
18.58307
Polar Surface Area
38.05
Rotatable Bonds
2
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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