3-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-4-nitrophenolate

Formula:C16H12N4O5F Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-4-nitrophenolate is a drug-like molecule.

MolName	3-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-4-nitrophenolate
MolecularFormula	C16H12N4O5F
Smiles	[O-]c(cc1)cc(/C=N\NC(CNC(c2cccc(F)c2)=O)=O)c1[N+]([O-])=O
InChI	InChI=1S/C16H13FN4O5/c17-12-3-1-2-10(6-12)16(24)18-9-15(23)20-19-8-11-7-13(22)4-5-14(11)21(25)26/h1-8,22H,9H2,(H,18,24)(H,20,23)/p-1
InChIK	UUDFZIMTJNKKKM-UHFFFAOYSA-M
TotalMolweight	359.292
Molweight	359.292
MonoisotopicMass	359.079174
CLogP	-0.4592
CLogS	-3.966
H Acceptors	9
H Donors	2
TotalSurfaceArea	267.51
Relative PSA	0.39329
PolarSurfaceArea	139.44
Druglikeness	-1.1349
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Amides	1
AcidicOxygens	1
StereoCon

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1 - 3-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-4-nitrophenolate | 2 - 3-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-4-nitrophenolate

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