3-[5-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate

Formula:C20H14N2O4Br Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate is a drug-like molecule.

MolName	3-[5-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
MolecularFormula	C20H14N2O4Br
Smiles	[O-]C(c1cccc(-c2ccc(/C=N\NC(Cc(cc3)ccc3Br)=O)o2)c1)=O
InChI	InChI=1S/C20H15BrN2O4/c21-16-6-4-13(5-7-16)10-19(24)23-22-12-17-8-9-18(27-17)14-2-1-3-15(11-14)20(25)26/h1-9,11-12H,10H2,(H,23,24)(H,25,26)/p-1
InChIK	UYXLZFYCFMBWSO-UHFFFAOYSA-M
TotalMolweight	426.245
Molweight	426.245
MonoisotopicMass	425.013694
CLogP	2.2729
CLogS	-5.993
H Acceptors	6
H Donors	1
TotalSurfaceArea	294.11
Relative PSA	0.2633
PolarSurfaceArea	94.73
Druglikeness	4.7247
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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