Molecule

ID:96551

General Information
Structure
Molecular Formula
C₁₆H₁₁ClFN
Molecular Mass
271.7166432
Exact Mass
271.05640526
Charge
0
InChI
InChI=1S/C16H11ClFN/c1-11(10-19)16(17)13-8-6-12(7-9-13)14-4-2-3-5-15(14)18/h2-9H,1H3
InChIKey
DOJBCNODFMVCJR-UHFFFAOYSA-N
Canonic Smiles
N#C/C(=C(/c1ccc(cc1)c1ccccc1F)\Cl)/C
Isomeric Smiles
N#C/C(=C(/c1ccc(cc1)c1ccccc1F)\Cl)/C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.7002425
LogD (pH = 7.4)
4.7002425
Log P
4.7002425
Molar Refractivity
76.4651
Polarizability
29.790012
Polar Surface Area
23.79
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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