Molecule

ID:48392

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClF₃N₂
Molecular Mass
312.7173896
Exact Mass
312.06411073
Charge
0
InChI
InChI=1S/C15H12ClF3N2/c16-13-7-12(15(17,18)19)8-20-14(13)21-6-5-10-3-1-2-4-11(10)9-21/h1-4,7-8H,5-6,9H2
InChIKey
YUKKQLSTIWQAJP-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cnc1N1CCc2c(C1)cccc2)C(F)(F)F
Isomeric Smiles
N1(c2ncc(C(F)(F)F)cc2Cl)Cc2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.700191
LogD (pH = 7.4)
4.704277
Log P
4.7043295
Molar Refractivity
77.3439
Polarizability
27.867285
Polar Surface Area
16.13
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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