Molecule

ID:81881

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇ClN₂
Molecular Mass
214.65038
Exact Mass
214.02977591
Charge
0
InChI
InChI=1S/C12H7ClN2/c13-12(7-6-10(8-14)9-15)11-4-2-1-3-5-11/h1-7H
InChIKey
AMXZIDAMUMHHPB-UHFFFAOYSA-N
Canonic Smiles
N#CC(=C/C=C(/c1ccccc1)\Cl)C#N
Isomeric Smiles
N#CC(=C/C=C(/c1ccccc1)\Cl)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8538392
LogD (pH = 7.4)
2.8538392
Log P
2.8538392
Molar Refractivity
62.1276
Polarizability
22.471233
Polar Surface Area
47.58
Rotatable Bonds
2
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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