1-(4-chlorophthalazin-1-yl)-2-(2,4,6-trinitrophenyl)hydrazine

Formula:C14H8N7O6Cl Mutagenic:none Tumorigenic:high Reproductive Effective:high 1-(4-chlorophthalazin-1-yl)-2-(2,4,6-trinitrophenyl)hydrazine is not a drug-like molecule.

MolName	1-(4-chlorophthalazin-1-yl)-2-(2,4,6-trinitrophenyl)hydrazine
MolecularFormula	C14H8N7O6Cl
Smiles	[O-][N+](c(cc1[N+]([O-])=O)cc([N+]([O-])=O)c1NNc(c1ccccc11)nnc1Cl)=O
InChI	InChI=1S/C14H8ClN7O6/c15-13-8-3-1-2-4-9(8)14(19-17-13)18-16-12-10(21(25)26)5-7(20(23)24)6-11(12)22(27)28/h1-6,16H,(H,18,19)
InChIK	IZACMEIIHAYFQO-UHFFFAOYSA-N
TotalMolweight	405.714
Molweight	405.714
MonoisotopicMass	405.02246
CLogP	2.5508
CLogS	-4.93
H Acceptors	13
H Donors	2
TotalSurfaceArea	274.49
Relative PSA	0.4959
PolarSurfaceArea	187.3
Druglikeness	-5.2275
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Symmetricatoms	5
Aromatic Nitrogens	2
AcidicOxygens	3
StereoCon

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