1-[1-chloro-2-[3-[(E)-2-chloro-2-(2,4-dinitrophenyl)ethenyl]phenyl]ethenyl]-2,4-dinitrobenzene

Formula:C22H12N4O8Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 1-[1-chloro-2-[3-[(E)-2-chloro-2-(2,4-dinitrophenyl)ethenyl]phenyl]ethenyl]-2,4-dinitrobenzene is not a drug-like molecule.

MolName	1-[1-chloro-2-[3-[(E)-2-chloro-2-(2,4-dinitrophenyl)ethenyl]phenyl]ethenyl]-2,4-dinitrobenzene
MolecularFormula	C22H12N4O8Cl2
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1/C(/Cl)=C\c1cccc(C=C(c(ccc([N+]([O-])=O)c2)c2[N+]([O-])=O)Cl)c1)=O
InChI	InChI=1S/C22H12Cl2N4O8/c23-19(17-6-4-15(25(29)30)11-21(17)27(33)34)9-13-2-1-3-14(8-13)10-20(24)18-7-5-16(26(31)32)12-22(18)28(35)36/h1-12H
InChIK	BULADVQYBLGHOJ-UHFFFAOYSA-N
TotalMolweight	531.263
Molweight	531.263
MonoisotopicMass	530.00322
CLogP	2.9446
CLogS	-6.026
H Acceptors	12
TotalSurfaceArea	367.72
Relative PSA	0.3309
PolarSurfaceArea	183.28
Druglikeness	-6.1312
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	allyl/benzyl chloride; aromatic nitro
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
AcidicOxygens	4
StereoCon

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