Molecule

ID:71043

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂
Molecular Mass
204.65556
Exact Mass
204.04542598
Charge
0
InChI
InChI=1S/C11H9ClN2/c12-10-4-1-8(2-5-10)9-3-6-11(13)14-7-9/h1-7H,(H2,13,14)
InChIKey
LVARCJGOURVXJL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1ccc(nc1)N
Isomeric Smiles
n1c(N)ccc(c2ccc(cc2)Cl)c1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9649642
LogD (pH = 7.4)
2.7377253
Log P
2.772375
Molar Refractivity
58.856
Polarizability
23.39318
Polar Surface Area
38.91
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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