Molecule

ID:73835

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClN
Molecular Mass
191.6568
Exact Mass
191.05017701
Charge
0
InChI
InChI=1S/C11H10ClN/c1-9(12)6-7-10-4-2-3-5-11(10)8-13/h2-5H,1,6-7H2
InChIKey
JWDAUXCIXOZDLC-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1CCC(=C)Cl
Isomeric Smiles
ClC(=C)CCc1ccccc1C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.453337
LogD (pH = 7.4)
3.453337
Log P
3.453337
Molar Refractivity
55.5381
Polarizability
21.02911
Polar Surface Area
23.79
Rotatable Bonds
3
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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