Molecule

ID:100154

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClFN₂O
Molecular Mass
294.7517432
Exact Mass
294.09351904
Charge
0
InChI
InChI=1S/C15H16ClFN2O/c1-15(2,3)13-8-12(14(16)20)19(18-13)9-10-4-6-11(17)7-5-10/h4-8H,9H2,1-3H3
InChIKey
AZVNJOVKSCYGHC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Cn1nc(cc1C(=O)Cl)C(C)(C)C
Isomeric Smiles
n1c(cc(n1Cc1ccc(cc1)F)C(=O)Cl)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3100767
LogD (pH = 7.4)
4.310101
Log P
4.310101
Molar Refractivity
89.0765
Polarizability
29.231543
Polar Surface Area
34.89
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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