Molecule

ID:30326

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂
Molecular Mass
198.26366
Exact Mass
198.11569846
Charge
0
InChI
InChI=1S/C13H14N2/c14-12-5-3-4-11(10-12)7-8-13-6-1-2-9-15-13/h1-6,9-10H,7-8,14H2
InChIKey
UJFFAAQNLMNRIM-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)CCc1ccccn1
Isomeric Smiles
n1c(CCc2cc(N)ccc2)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9665602
LogD (pH = 7.4)
2.3299916
Log P
2.336926
Molar Refractivity
62.5159
Polarizability
23.727789
Polar Surface Area
38.91
Rotatable Bonds
3
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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