5-[(Z)-(2,4,7-trichlorofluoren-9-ylidene)methyl]-1,3-benzodioxole

Formula:C21H11O2Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-[(Z)-(2,4,7-trichlorofluoren-9-ylidene)methyl]-1,3-benzodioxole is not a drug-like molecule.

MolName	5-[(Z)-(2,4,7-trichlorofluoren-9-ylidene)methyl]-1,3-benzodioxole
MolecularFormula	C21H11O2Cl3
Smiles	Clc(cc1)cc(/C(/c2cc(Cl)c3)=C/c(cc4)cc5c4OCO5)c1-c2c3Cl
InChI	InChI=1S/C21H11Cl3O2/c22-12-2-3-14-16(7-12)15(17-8-13(23)9-18(24)21(14)17)5-11-1-4-19-20(6-11)26-10-25-19/h1-9H,10H2
InChIK	DEGJGKZVZHVANT-UHFFFAOYSA-N
TotalMolweight	401.675
Molweight	401.675
MonoisotopicMass	399.982461
CLogP	7.2303
CLogS	-8.876
H Acceptors	2
TotalSurfaceArea	270.51
Relative PSA	0.073934
PolarSurfaceArea	18.46
Druglikeness	-0.7685
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.42308
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	1
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
StereoCon

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