Molecule

ID:34800

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂
Molecular Mass
164.24744
Exact Mass
164.13134852
Charge
0
InChI
InChI=1S/C10H16N2/c1-10(2,3)8-4-6-9(12-11)7-5-8/h4-7,12H,11H2,1-3H3
InChIKey
QPKCNTDHLKSHGT-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)C(C)(C)C
Isomeric Smiles
C(c1ccc(NN)cc1)(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.6714902
LogD (pH = 7.4)
2.9059608
Log P
2.9099448
Molar Refractivity
54.4306
Polarizability
20.20845
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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