(3E,6E)-3,6-bis[(2,4-dichlorophenyl)methylidene]piperazine-2,5-dione

Formula:C18H10N2O2Cl4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E,6E)-3,6-bis[(2,4-dichlorophenyl)methylidene]piperazine-2,5-dione is a drug-like molecule.

MolName	(3E,6E)-3,6-bis[(2,4-dichlorophenyl)methylidene]piperazine-2,5-dione
MolecularFormula	C18H10N2O2Cl4
Smiles	O=C(/C(/NC1=O)=C\c(ccc(Cl)c2)c2Cl)N/C1=C/c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C18H10Cl4N2O2/c19-11-3-1-9(13(21)7-11)5-15-17(25)24-16(18(26)23-15)6-10-2-4-12(20)8-14(10)22/h1-8H,(H,23,26)(H,24,25)
InChIK	CIZGDCGNHQIHDG-UHFFFAOYSA-N
TotalMolweight	428.101
Molweight	428.101
MonoisotopicMass	425.949636
CLogP	4.6966
CLogS	-6.964
H Acceptors	4
H Donors	2
TotalSurfaceArea	289.04
Relative PSA	0.16953
PolarSurfaceArea	58.2
Druglikeness	3.0405
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	13
Amides	2
StereoCon

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