Molecule

ID:55794

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉ClFN₃O
Molecular Mass
311.7822632
Exact Mass
311.12006814
Charge
0
InChI
InChI=1S/C15H18FN3O.ClH/c1-19-15-5-6-17-8-13(15)14(18-19)10-20-9-11-3-2-4-12(16)7-11;/h2-4,7,17H,5-6,8-10H2,1H3;1H
InChIKey
VVKRDEIWDIJLGT-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)COCc1nn(c2c1CNCC2)C.Cl
Isomeric Smiles
C1CNCc2c1n(nc2COCc1cccc(c1)F)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3623004
LogD (pH = 7.4)
0.27159408
Log P
1.5150665
Molar Refractivity
87.3808
Polarizability
28.761156
Polar Surface Area
39.08
Rotatable Bonds
4
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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