Molecule

ID:10231

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂
Molecular Mass
200.27954
Exact Mass
200.13134852
Charge
0
InChI
InChI=1S/C13H16N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-4,9-10,14-15H,5-8H2
InChIKey
KAIRZPVWWIMPFT-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)c1c[nH]c2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c(c[nH]2)C1CCNCC1
Calculated Properties
JChem
Acid pKa
17.13288
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.0433856
LogD (pH = 7.4)
-0.36301512
Log P
2.1770728
Molar Refractivity
62.5655
Polarizability
25.562231
Polar Surface Area
27.82
Rotatable Bonds
1
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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