N-[(Z)-(4-nitrophenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide

Formula:C23H19N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(4-nitrophenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide is a drug-like molecule.

MolName	N-[(Z)-(4-nitrophenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide
MolecularFormula	C23H19N5O3
Smiles	[O-][N+](c1ccc(/C=N\NC(C(C2)=NNC2(c2ccccc2)c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C23H19N5O3/c29-22(26-24-16-17-11-13-20(14-12-17)28(30)31)21-15-23(27-25-21,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,16,27H,15H2,(H,26,29)
InChIK	BFOAYJWMIOUIPW-UHFFFAOYSA-N
TotalMolweight	413.436
Molweight	413.436
MonoisotopicMass	413.14879
CLogP	3.06
CLogS	-5.761
H Acceptors	8
H Donors	2
TotalSurfaceArea	315.52
Relative PSA	0.28334
PolarSurfaceArea	111.67
Druglikeness	0.90485
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	10
AcidicOxygens	1
StereoCon

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