1-(1,3-diphenylpyrazol-4-yl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea

Formula:C21H16N6O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 1-(1,3-diphenylpyrazol-4-yl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea is a drug-like molecule.

MolName	1-(1,3-diphenylpyrazol-4-yl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea
MolecularFormula	C21H16N6O4
Smiles	[O-][N+](c1ccc(/C=N\NC(Nc2cn(-c3ccccc3)nc2-c2ccccc2)=O)o1)=O
InChI	InChI=1S/C21H16N6O4/c28-21(24-22-13-17-11-12-19(31-17)27(29)30)23-18-14-26(16-9-5-2-6-10-16)25-20(18)15-7-3-1-4-8-15/h1-14H,(H2,23,24,28)
InChIK	WVIJZIMDXCEGCJ-UHFFFAOYSA-N
TotalMolweight	416.396
Molweight	416.396
MonoisotopicMass	416.123304
CLogP	2.733
CLogS	-6.417
H Acceptors	10
H Donors	2
TotalSurfaceArea	319.29
Relative PSA	0.34401
PolarSurfaceArea	130.27
Druglikeness	3.9793
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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