2-chloro-1,3,5-trinitro-4-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]benzene

Formula:C14H5N6O12Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-chloro-1,3,5-trinitro-4-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]benzene is not a drug-like molecule.

MolName	2-chloro-1,3,5-trinitro-4-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]benzene
MolecularFormula	C14H5N6O12Cl
Smiles	[O-][N+](c1cc([N+]([O-])=O)c(/C=C/c(c([N+]([O-])=O)c(c([N+]([O-])=O)c2)Cl)c2[N+]([O-])=O)c([N+]([O-])=O)c1)=O
InChI	InChI=1S/C14H5ClN6O12/c15-13-12(20(30)31)5-11(19(28)29)8(14(13)21(32)33)2-1-7-9(17(24)25)3-6(16(22)23)4-10(7)18(26)27/h1-5H
InChIK	ZPFYDNJAMVFWMH-UHFFFAOYSA-N
TotalMolweight	484.677
Molweight	484.677
MonoisotopicMass	483.965401
CLogP	-1.057
CLogS	-7.248
H Acceptors	18
TotalSurfaceArea	316.96
Relative PSA	0.57585
PolarSurfaceArea	274.92
Druglikeness	-6.7742
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.42424
Fragments	1
Non HAtoms	33
NonCHAtoms	19
Electronegative Atoms	19
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	5
AcidicOxygens	6
StereoCon

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