2-(2,4-dibromophenoxy)-1-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone

Formula:C24H20N2O4Br2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-(2,4-dibromophenoxy)-1-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone is not a drug-like molecule.

MolName	2-(2,4-dibromophenoxy)-1-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone
MolecularFormula	C24H20N2O4Br2
Smiles	O=C(COc(ccc(Br)c1)c1Br)N(C(C1CCC2)c3ccco3)N=C1/C2=C\c1ccco1
InChI	InChI=1S/C24H20Br2N2O4/c25-16-8-9-20(19(26)13-16)32-14-22(29)28-24(21-7-3-11-31-21)18-6-1-4-15(23(18)27-28)12-17-5-2-10-30-17/h2-3,5,7-13,18,24H,1,4,6,14H2
InChIK	JXFXDDPLHHPCLD-UHFFFAOYSA-N
TotalMolweight	560.241
Molweight	560.241
MonoisotopicMass	557.97898
CLogP	5.2592
CLogS	-6.384
H Acceptors	6
TotalSurfaceArea	348.19
Relative PSA	0.19047
PolarSurfaceArea	68.18
Druglikeness	-1.3589
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	2
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
StereoCon	unknown chirality

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1 - 2-(2,4-dibromophenoxy)-1-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone | 2 - 2-(2,4-dibromophenoxy)-1-[(7Z)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone

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