Molecule

ID:118798

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂
Molecular Mass
188.26884
Exact Mass
188.13134852
Charge
0
InChI
InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)
InChIKey
YLUSMKAJIQOXPV-UHFFFAOYSA-N
Canonic Smiles
Nc1c2CCCCc2nc2c1CCC2
Isomeric Smiles
c1(c2c(nc3c1CCCC3)CCC2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.21954235
LogD (pH = 7.4)
0.3597972
Log P
2.1344192
Molar Refractivity
58.1173
Polarizability
21.690706
Polar Surface Area
38.91
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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