3,5-dinitro-N'-[4-(4-phenylpiperazine-1-carbonyl)phenyl]benzohydrazide

Formula:C24H22N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3,5-dinitro-N'-[4-(4-phenylpiperazine-1-carbonyl)phenyl]benzohydrazide is not a drug-like molecule.

MolName	3,5-dinitro-N'-[4-(4-phenylpiperazine-1-carbonyl)phenyl]benzohydrazide
MolecularFormula	C24H22N6O6
Smiles	[O-][N+](c1cc(C(NNc(cc2)ccc2C(N(CC2)CCN2c2ccccc2)=O)=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C24H22N6O6/c31-23(18-14-21(29(33)34)16-22(15-18)30(35)36)26-25-19-8-6-17(7-9-19)24(32)28-12-10-27(11-13-28)20-4-2-1-3-5-20/h1-9,14-16,25H,10-13H2,(H,26,31)
InChIK	IMHTUOSOPKYEID-UHFFFAOYSA-N
TotalMolweight	490.475
Molweight	490.475
MonoisotopicMass	490.160084
CLogP	2.6926
CLogS	-4.715
H Acceptors	12
H Donors	2
TotalSurfaceArea	360.68
Relative PSA	0.32422
PolarSurfaceArea	156.32
Druglikeness	2.7013
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	36
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	11
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	2
StereoCon

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