4-hydroxy-N-[(Z)-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide

Formula:C23H17N5O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-hydroxy-N-[(Z)-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide is a drug-like molecule.

MolName	4-hydroxy-N-[(Z)-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide
MolecularFormula	C23H17N5O4
Smiles	[O-][N+](c(cc1)ccc1-n(cc1/C=N\NC(c(cc2)ccc2O)=O)nc1-c1ccccc1)=O
InChI	InChI=1S/C23H17N5O4/c29-21-12-6-17(7-13-21)23(30)25-24-14-18-15-27(19-8-10-20(11-9-19)28(31)32)26-22(18)16-4-2-1-3-5-16/h1-15,29H,(H,25,30)
InChIK	JRCKNEFQOWHRAE-UHFFFAOYSA-N
TotalMolweight	427.419
Molweight	427.419
MonoisotopicMass	427.128055
CLogP	2.8533
CLogS	-5.398
H Acceptors	9
H Donors	2
TotalSurfaceArea	324.49
Relative PSA	0.30007
PolarSurfaceArea	125.33
Druglikeness	0.74521
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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