[2-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-4,6-dibromophenyl] 3-fluorobenzoate

Formula:C22H13N2O5Br2F Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-4,6-dibromophenyl] 3-fluorobenzoate is not a drug-like molecule.

MolName	[2-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-4,6-dibromophenyl] 3-fluorobenzoate
MolecularFormula	C22H13N2O5Br2F
Smiles	O=C(c(cc1)cc2c1OCO2)N/N=C\c1cc(Br)cc(Br)c1OC(c1cc(F)ccc1)=O
InChI	InChI=1S/C22H13Br2FN2O5/c23-15-6-14(10-26-27-21(28)12-4-5-18-19(8-12)31-11-30-18)20(17(24)9-15)32-22(29)13-2-1-3-16(25)7-13/h1-10H,11H2,(H,27,28)
InChIK	XZPHCPOTGWXJFQ-UHFFFAOYSA-N
TotalMolweight	564.16
Molweight	564.16
MonoisotopicMass	561.917523
CLogP	6.2947
CLogS	-7.884
H Acceptors	7
H Donors	1
TotalSurfaceArea	338.37
Relative PSA	0.23362
PolarSurfaceArea	86.22
Druglikeness	0.82396
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
StereoCon

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1 - [2-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-4,6-dibromophenyl] 3-fluorobenzoate | 2 - [2-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-4,6-dibromophenyl] 3-fluorobenzoate

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