Molecule

ID:121302

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂
Molecular Mass
188.26884
Exact Mass
188.13134852
Charge
0
InChI
InChI=1S/C12H16N2/c1-9(2)8-14-6-5-10-7-11(13)3-4-12(10)14/h3-7,9H,8,13H2,1-2H3
InChIKey
DYLXFJYFIPXDMN-UHFFFAOYSA-N
Canonic Smiles
CC(Cn1ccc2c1ccc(c2)N)C
Isomeric Smiles
n1(c2c(cc1)cc(cc2)N)CC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.702469
LogD (pH = 7.4)
2.7109518
Log P
2.711061
Molar Refractivity
60.4858
Polarizability
24.04444
Polar Surface Area
30.95
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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