Molecule

ID:15560

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₂
Molecular Mass
245.14826
Exact Mass
244.05340382
Charge
0
InChI
InChI=1S/C11H12N2.2ClH/c12-13-8-9-5-6-10-3-1-2-4-11(10)7-9;;/h1-7,13H,8,12H2;2*1H
InChIKey
PRJLBNCPFPMRFO-UHFFFAOYSA-N
Canonic Smiles
NNCc1ccc2c(c1)cccc2.Cl.Cl
Isomeric Smiles
c1cc(cc2c1cccc2)CNN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6900167
LogD (pH = 7.4)
1.9003699
Log P
1.9038355
Molar Refractivity
65.9585
Polarizability
22.676706
Polar Surface Area
38.05
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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