Molecule

ID:96574

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄ClF₃N₄O
Molecular Mass
370.7567696
Exact Mass
370.08082343
Charge
0
InChI
InChI=1S/C16H14ClF3N4O/c17-13-11(3-1-5-21-13)15(25)24-9-7-23(8-10-24)14-12(16(18,19)20)4-2-6-22-14/h1-6H,7-10H2
InChIKey
WXFOIONNWJMNHK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1Cl)N1CCN(CC1)c1ncccc1C(F)(F)F
Isomeric Smiles
N1(C(=O)c2cccnc2Cl)CCN(c2ncccc2C(F)(F)F)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5968626
LogD (pH = 7.4)
2.865743
Log P
2.870661
Molar Refractivity
89.3179
Polarizability
31.941198
Polar Surface Area
49.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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