Molecule

ID:77523

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂
Molecular Mass
204.65556
Exact Mass
204.04542598
Charge
0
InChI
InChI=1S/C11H9ClN2/c1-8-4-2-3-5-9(8)10-6-7-11(12)14-13-10/h2-7H,1H3
InChIKey
NWOBIVPDWBWZJH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)c1ccccc1C
Isomeric Smiles
n1nc(ccc1c1c(cccc1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1465209
LogD (pH = 7.4)
3.1465223
Log P
3.1465223
Molar Refractivity
59.4359
Polarizability
23.218422
Polar Surface Area
25.78
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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