4-[5-[(Z)-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

Formula:C22H18N2O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(Z)-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	4-[5-[(Z)-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C22H18N2O6
Smiles	OC(c(cc1)ccc1-c1ccc(/C=N\NC(Cc(cc2)cc3c2OCCO3)=O)o1)=O
InChI	InChI=1S/C22H18N2O6/c25-21(12-14-1-7-19-20(11-14)29-10-9-28-19)24-23-13-17-6-8-18(30-17)15-2-4-16(5-3-15)22(26)27/h1-8,11,13H,9-10,12H2,(H,24,25)(H,26,27)
InChIK	XEXLOQDODVQFLX-UHFFFAOYSA-N
TotalMolweight	406.393
Molweight	406.393
MonoisotopicMass	406.116488
CLogP	3.6025
CLogS	-5.341
H Acceptors	8
H Donors	2
TotalSurfaceArea	308.32
Relative PSA	0.31221
PolarSurfaceArea	110.36
Druglikeness	-0.71496
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	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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