Molecule

ID:82599

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClN₂
Molecular Mass
202.63968
Exact Mass
202.02977591
Charge
0
InChI
InChI=1S/C11H7ClN2/c1-8(10(6-13)7-14)9-2-4-11(12)5-3-9/h2-5H,1H3
InChIKey
WJXJNOHGXBNAIV-UHFFFAOYSA-N
Canonic Smiles
N#CC(=C(c1ccc(cc1)Cl)C)C#N
Isomeric Smiles
N#CC(=C(c1ccc(cc1)Cl)C)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0759997
LogD (pH = 7.4)
3.0759997
Log P
3.0759997
Molar Refractivity
56.1796
Polarizability
20.910252
Polar Surface Area
47.58
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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