Molecule

ID:47626

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂
Molecular Mass
258.746
Exact Mass
258.09237617
Charge
0
InChI
InChI=1S/C15H15ClN2/c16-12-7-3-8-13(17)15(12)18-10-4-6-11-5-1-2-9-14(11)18/h1-3,5,7-9H,4,6,10,17H2
InChIKey
HVRZBLYYODCGLT-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1N1CCCc2c1cccc2)Cl
Isomeric Smiles
N1(c2c(N)cccc2Cl)c2c(CCC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.895611
LogD (pH = 7.4)
3.8964133
Log P
3.8964236
Molar Refractivity
76.8567
Polarizability
28.78811
Polar Surface Area
29.26
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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