2,4-dinitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]aniline

Formula:C11H7N5O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,4-dinitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]aniline is not a drug-like molecule.

MolName	2,4-dinitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]aniline
MolecularFormula	C11H7N5O6S
Smiles	[O-][N+](c1ccc(/C=N\Nc(ccc([N+]([O-])=O)c2)c2[N+]([O-])=O)s1)=O
InChI	InChI=1S/C11H7N5O6S/c17-14(18)7-1-3-9(10(5-7)15(19)20)13-12-6-8-2-4-11(23-8)16(21)22/h1-6,13H
InChIK	CEDVTDLVLVWIFM-UHFFFAOYSA-N
TotalMolweight	337.272
Molweight	337.272
MonoisotopicMass	337.011705
CLogP	2.1323
CLogS	-4.689
H Acceptors	11
H Donors	1
TotalSurfaceArea	236.19
Relative PSA	0.56984
PolarSurfaceArea	190.09
Druglikeness	-1.633
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
AcidicOxygens	3
StereoCon

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