Molecule

ID:100136

General Information
Structure
Molecular Formula
C₁₆H₁₅F₂N
Molecular Mass
259.2938064
Exact Mass
259.11725593
Charge
0
InChI
InChI=1S/C16H15F2N/c17-16(18)12-19(10-13-6-2-1-3-7-13)11-14-8-4-5-9-15(14)16/h1-9H,10-12H2
InChIKey
UHZBHPNJYFRAIV-UHFFFAOYSA-N
Canonic Smiles
FC1(F)CN(Cc2ccccc2)Cc2c1cccc2
Isomeric Smiles
N1(Cc2ccccc2)Cc2ccccc2C(C1)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3317063
LogD (pH = 7.4)
4.0657525
Log P
4.090986
Molar Refractivity
72.4359
Polarizability
27.43552
Polar Surface Area
3.24
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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