Molecule

ID:77498

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂
Molecular Mass
204.65556
Exact Mass
204.04542598
Charge
0
InChI
InChI=1S/C11H9ClN2/c12-6-9-7-13-11(14-8-9)10-4-2-1-3-5-10/h1-5,7-8H,6H2
InChIKey
VJINEZQXTOUKNJ-UHFFFAOYSA-N
Canonic Smiles
ClCc1cnc(nc1)c1ccccc1
Isomeric Smiles
n1c(ncc(c1)CCl)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0168223
LogD (pH = 7.4)
3.0168598
Log P
3.0168602
Molar Refractivity
68.0003
Polarizability
22.468256
Polar Surface Area
25.78
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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