Molecule

ID:64884

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClFN₃O₂
Molecular Mass
315.7709632
Exact Mass
315.11498276
Charge
0
InChI
InChI=1S/C14H19ClFN3O2/c1-14(2,3)21-13(20)19-6-4-9(5-7-19)11-10(16)8-17-12(15)18-11/h8-9H,4-7H2,1-3H3
InChIKey
NPCNFHIQKNJCDS-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)c1nc(Cl)ncc1F)OC(C)(C)C
Isomeric Smiles
c1(ncc(c(n1)C1CCN(CC1)C(=O)OC(C)(C)C)F)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.619129
LogD (pH = 7.4)
2.619129
Log P
2.619129
Molar Refractivity
78.4555
Polarizability
29.917185
Polar Surface Area
55.32
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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