Molecule

ID:95385

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆ClFN₂O₂
Molecular Mass
322.7618432
Exact Mass
322.08843366
Charge
0
InChI
InChI=1S/C16H16ClFN2O2/c1-16(2,10-17)15(21)20-12-7-5-9-19-14(12)22-13-8-4-3-6-11(13)18/h3-9H,10H2,1-2H3,(H,20,21)
InChIKey
ACMMVJOSWJQRTA-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(=O)Nc1cccnc1Oc1ccccc1F)(C)C
Isomeric Smiles
N(c1cccnc1Oc1ccccc1F)C(=O)C(CCl)(C)C
Calculated Properties
JChem
Acid pKa
11.2728815
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1040606
LogD (pH = 7.4)
4.104032
Log P
4.1040874
Molar Refractivity
84.0629
Polarizability
31.698023
Polar Surface Area
51.22
Rotatable Bonds
5
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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