Molecule

ID:80976

General Information
Structure
Molecular Formula
C₁₀H₁₆N₂
Molecular Mass
164.24744
Exact Mass
164.13134852
Charge
0
InChI
InChI=1S/C10H16N2/c1-5-6(2)8(4)10(12)9(11)7(5)3/h11-12H2,1-4H3
InChIKey
IIXBOEDONSWOCD-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C)c(C)c(c(c1C)N)N
Isomeric Smiles
Nc1c(c(c(c(c1C)C)C)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1921873
LogD (pH = 7.4)
2.3663318
Log P
2.3690794
Molar Refractivity
55.6236
Polarizability
19.6779
Polar Surface Area
52.04
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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