2-[2-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

Formula:C18H16N3O5F Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName2-[2-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
MolecularFormulaC18H16N3O5F
SmilesOC(COc1c(/C=N\NC(CNC(c(cc2)ccc2F)=O)=O)cccc1)=O
InChIInChI=1S/C18H16FN3O5/c19-14-7-5-12(6-8-14)18(26)20-10-16(23)22-21-9-13-3-1-2-4-15(13)27-11-17(24)25/h1-9H,10-11H2,(H,20,26)(H,22,23)(H,24,25)
InChIKBTQCBWVHGGJAOC-UHFFFAOYSA-N
TotalMolweight373.339
Molweight373.339
MonoisotopicMass373.1074
CLogP1.4461
CLogS-3.595
H Acceptors8
H Donors3
TotalSurfaceArea284.17
Relative PSA0.34011
PolarSurfaceArea117.09
Druglikeness3.9168
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.66667
Fragments1
Non HAtoms27
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond8
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms2
Amides1
AcidicOxygens1
StereoCon

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