Molecule

ID:14774

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁FN₂
Molecular Mass
202.2275432
Exact Mass
202.09062658
Charge
0
InChI
InChI=1S/C12H11FN2/c13-11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10/h1-8,15H,9H2
InChIKey
ONNWIIVTVOCXPW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NCc1ccncc1
Isomeric Smiles
c1(NCc2ccncc2)ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9731467
LogD (pH = 7.4)
2.0937338
Log P
2.0955265
Molar Refractivity
58.9239
Polarizability
21.650011
Polar Surface Area
24.92
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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