Molecule

ID:34864

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂
Molecular Mass
150.22086
Exact Mass
150.11569846
Charge
0
InChI
InChI=1S/C9H14N2/c1-7(2)8-3-5-9(11-10)6-4-8/h3-7,11H,10H2,1-2H3
InChIKey
ZYATZFJUOXJFPY-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)C(C)C
Isomeric Smiles
c1(ccc(NN)cc1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3691788
LogD (pH = 7.4)
2.6058645
Log P
2.6098976
Molar Refractivity
49.9555
Polarizability
18.362646
Polar Surface Area
38.05
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
No Data Available
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Molecule Details
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References
Bioactivity
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