2-[(E)-2-[2,4-dinitro-5-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]ethenyl]aniline

Formula:C22H16N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-[2,4-dinitro-5-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]ethenyl]aniline is a drug-like molecule.

MolName	2-[(E)-2-[2,4-dinitro-5-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]ethenyl]aniline
MolecularFormula	C22H16N4O6
Smiles	Nc1c(/C=C/c(cc(/C=C/c2cc([N+]([O-])=O)ccc2)c([N+]([O-])=O)c2)c2[N+]([O-])=O)cccc1
InChI	InChI=1S/C22H16N4O6/c23-20-7-2-1-5-16(20)10-11-18-13-17(21(25(29)30)14-22(18)26(31)32)9-8-15-4-3-6-19(12-15)24(27)28/h1-14H,23H2
InChIK	OGUAQALKBNIQJC-UHFFFAOYSA-N
TotalMolweight	432.391
Molweight	432.391
MonoisotopicMass	432.106986
CLogP	2.6315
CLogS	-7.344
H Acceptors	10
H Donors	1
TotalSurfaceArea	325.31
Relative PSA	0.32747
PolarSurfaceArea	163.48
Druglikeness	-6.6191
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Amines	1
Aromatic Amines	1
AcidicOxygens	3
StereoCon

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