Molecule

ID:39986

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉ClF₃N₃O₂
Molecular Mass
365.7784696
Exact Mass
365.1117892
Charge
0
InChI
InChI=1S/C15H19ClF3N3O2/c1-21(6-7-23)14(24)10-2-4-22(5-3-10)13-12(16)8-11(9-20-13)15(17,18)19/h8-10,23H,2-7H2,1H3
InChIKey
AUFCNIZMJPYWDN-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=O)C1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F)C
Isomeric Smiles
c1(ncc(cc1Cl)C(F)(F)F)N1CCC(C(=O)N(CCO)C)CC1
Calculated Properties
JChem
Acid pKa
15.574836
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.9587547
LogD (pH = 7.4)
1.9633274
Log P
1.963386
Molar Refractivity
85.7115
Polarizability
31.444384
Polar Surface Area
56.67
Rotatable Bonds
5
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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