Molecule

ID:60665

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₆FNO₄
Molecular Mass
365.3544432
Exact Mass
365.10633622
Charge
0
InChI
InChI=1S/C21H16FNO4/c1-11-10-21(2,3)23-17-15(11)8-14(9-16(17)18(24)19(23)25)27-20(26)12-5-4-6-13(22)7-12/h4-10H,1-3H3
InChIKey
ZVKRVHMJOLWBPR-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C(=O)Oc1cc2C(=CC(N3c2c(c1)C(=O)C3=O)(C)C)C
Isomeric Smiles
N12C(=O)C(=O)c3c1c(C(=CC2(C)C)C)cc(OC(=O)c1cc(F)ccc1)c3
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9774363
LogD (pH = 7.4)
3.9774363
Log P
3.9774363
Molar Refractivity
97.8224
Polarizability
36.52248
Polar Surface Area
63.68
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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