Molecule

ID:81607

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClN
Molecular Mass
163.60364
Exact Mass
163.01887688
Charge
0
InChI
InChI=1S/C9H6ClN/c10-9(6-7-11)8-4-2-1-3-5-8/h1-6H
InChIKey
GVKYEBRJHLHHOE-UHFFFAOYSA-N
Canonic Smiles
N#C/C=C(/c1ccccc1)\Cl
Isomeric Smiles
N#C/C=C(/c1ccccc1)\Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5147648
LogD (pH = 7.4)
2.5147648
Log P
2.5147648
Molar Refractivity
46.7554
Polarizability
17.345192
Polar Surface Area
23.79
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
No Data Available
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Molecule Details
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References
Bioactivity
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