(6E)-6-[(2,4-dinitrophenyl)hydrazinylidene]-6-phenylhexanoic acid

Formula:C18H18N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (6E)-6-[(2,4-dinitrophenyl)hydrazinylidene]-6-phenylhexanoic acid is a drug-like molecule.

MolName	(6E)-6-[(2,4-dinitrophenyl)hydrazinylidene]-6-phenylhexanoic acid
MolecularFormula	C18H18N4O6
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\CCCCC(O)=O)/c1ccccc1)=O
InChI	InChI=1S/C18H18N4O6/c23-18(24)9-5-4-8-15(13-6-2-1-3-7-13)19-20-16-11-10-14(21(25)26)12-17(16)22(27)28/h1-3,6-7,10-12,20H,4-5,8-9H2,(H,23,24)
InChIK	UZVFRVPOJUVYFZ-UHFFFAOYSA-N
TotalMolweight	386.363
Molweight	386.363
MonoisotopicMass	386.122636
CLogP	3.4769
CLogS	-4.984
H Acceptors	10
H Donors	2
TotalSurfaceArea	293.93
Relative PSA	0.37407
PolarSurfaceArea	153.33
Druglikeness	-13.718
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
AcidicOxygens	3
StereoCon

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