Molecule

ID:79873

General Information
Structure
Molecular Formula
C₁₁H₉ClN₂
Molecular Mass
204.65556
Exact Mass
204.04542598
Charge
0
InChI
InChI=1S/C11H9ClN2/c1-8-7-10(12)13-14-11(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
SLWRMNONFLILEO-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc(c(c1)C)c1ccccc1
Isomeric Smiles
n1nc(cc(c1c1ccccc1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.146517
LogD (pH = 7.4)
3.1465223
Log P
3.1465223
Molar Refractivity
59.4359
Polarizability
23.217129
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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