Molecule

ID:97259

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClFN₃
Molecular Mass
287.7193432
Exact Mass
287.06255327
Charge
0
InChI
InChI=1S/C15H11ClFN3/c16-11-3-7-13(8-4-11)20-15(18)9-14(19-20)10-1-5-12(17)6-2-10/h1-9H,18H2
InChIKey
BREFARZBMCPRCN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1cc(n(n1)c1ccc(cc1)Cl)N
Isomeric Smiles
n1c(c2ccc(cc2)F)cc(n1c1ccc(cc1)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.097755
LogD (pH = 7.4)
4.0992327
Log P
4.0992517
Molar Refractivity
78.1588
Polarizability
30.984035
Polar Surface Area
43.84
Rotatable Bonds
2
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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