Molecule

ID:97266

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄FN₃O
Molecular Mass
283.3002632
Exact Mass
283.1120903
Charge
0
InChI
InChI=1S/C16H14FN3O/c1-21-14-8-6-13(7-9-14)20-16(18)10-15(19-20)11-2-4-12(17)5-3-11/h2-10H,18H2,1H3
InChIKey
QQTPARSTQLBZAJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)n1nc(cc1N)c1ccc(cc1)F
Isomeric Smiles
n1c(c2ccc(cc2)F)cc(n1c1ccc(cc1)OC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3360393
LogD (pH = 7.4)
3.3375168
Log P
3.3375356
Molar Refractivity
79.8172
Polarizability
31.654327
Polar Surface Area
53.07
Rotatable Bonds
3
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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