N-[(Z)-[1-(2-amino-2-oxoethyl)-4-phenylpyrazol-3-yl]methylideneamino]-3-fluorobenzamide

Formula:C19H16N5O2F Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(Z)-[1-(2-amino-2-oxoethyl)-4-phenylpyrazol-3-yl]methylideneamino]-3-fluorobenzamide is a drug-like molecule.

MolName	N-[(Z)-[1-(2-amino-2-oxoethyl)-4-phenylpyrazol-3-yl]methylideneamino]-3-fluorobenzamide
MolecularFormula	C19H16N5O2F
Smiles	NC(Cn1nc(/C=N\NC(c2cccc(F)c2)=O)c(-c2ccccc2)c1)=O
InChI	InChI=1S/C19H16FN5O2/c20-15-8-4-7-14(9-15)19(27)23-22-10-17-16(13-5-2-1-3-6-13)11-25(24-17)12-18(21)26/h1-11H,12H2,(H2,21,26)(H,23,27)
InChIK	RONWOBYMQXULTE-UHFFFAOYSA-N
TotalMolweight	365.367
Molweight	365.367
MonoisotopicMass	365.128803
CLogP	1.6598
CLogS	-4.468
H Acceptors	7
H Donors	2
TotalSurfaceArea	281.09
Relative PSA	0.29229
PolarSurfaceArea	102.37
Druglikeness	6.0146
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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