2,3,5-trichloro-6-[(E)-2-morpholin-4-ylethenyl]cyclohexa-2,5-diene-1,4-dione

Formula:C12H10NO3Cl3 Mutagenic:high Tumorigenic:low Reproductive Effective:none 2,3,5-trichloro-6-[(E)-2-morpholin-4-ylethenyl]cyclohexa-2,5-diene-1,4-dione is a drug-like molecule.

MolName	2,3,5-trichloro-6-[(E)-2-morpholin-4-ylethenyl]cyclohexa-2,5-diene-1,4-dione
MolecularFormula	C12H10NO3Cl3
Smiles	O=C(C(/C=C/N1CCOCC1)=C(C1=O)Cl)C(Cl)=C1Cl
InChI	InChI=1S/C12H10Cl3NO3/c13-8-7(1-2-16-3-5-19-6-4-16)11(17)9(14)10(15)12(8)18/h1-2H,3-6H2
InChIK	LRGHYBZMWLHNRC-UHFFFAOYSA-N
TotalMolweight	322.574
Molweight	322.574
MonoisotopicMass	320.972625
CLogP	1.253
CLogS	-2.879
H Acceptors	4
TotalSurfaceArea	215.94
Relative PSA	0.18352
PolarSurfaceArea	46.61
Druglikeness	1.1343
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	low
Nasty Functions	1,2-dihalo-alkene; 2-halo-enone; 3-halo-enone
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Sp3Atoms	5
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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