2-chloro-5-[5-[(Z)-[[6-(4-fluoroanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

Formula:C22H13N7O4ClF Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-chloro-5-[5-[(Z)-[[6-(4-fluoroanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is not a drug-like molecule.

MolName	2-chloro-5-[5-[(Z)-[[6-(4-fluoroanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C22H13N7O4ClF
Smiles	OC(c(cc(cc1)-c2ccc(/C=N\Nc3nc4nonc4nc3Nc(cc3)ccc3F)o2)c1Cl)=O
InChI	InChI=1S/C22H13ClFN7O4/c23-16-7-1-11(9-15(16)22(32)33)17-8-6-14(34-17)10-25-29-19-18(26-13-4-2-12(24)3-5-13)27-20-21(28-19)31-35-30-20/h1-10H,(H,32,33)(H,26,27,30)(H,28,29,31)
InChIK	KZEGYVKHHDFBHJ-UHFFFAOYSA-N
TotalMolweight	493.841
Molweight	493.841
MonoisotopicMass	493.070158
CLogP	6.7196
CLogS	-8.039
H Acceptors	11
H Donors	3
TotalSurfaceArea	355.11
Relative PSA	0.3736
PolarSurfaceArea	151.56
Druglikeness	4.0392
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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1 - 2-chloro-5-[5-[(Z)-[[6-(4-fluoroanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 2-chloro-5-[5-[(Z)-[[6-(4-fluoroanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

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