2-[5-[(Z)-[(4-amino-1,2,5-oxadiazole-3-carbonyl)hydrazinylidene]methyl]furan-2-yl]-5-bromobenzoic acid

Formula:C15H10N5O5Br Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[5-[(Z)-[(4-amino-1,2,5-oxadiazole-3-carbonyl)hydrazinylidene]methyl]furan-2-yl]-5-bromobenzoic acid is a drug-like molecule.

MolName	2-[5-[(Z)-[(4-amino-1,2,5-oxadiazole-3-carbonyl)hydrazinylidene]methyl]furan-2-yl]-5-bromobenzoic acid
MolecularFormula	C15H10N5O5Br
Smiles	Nc1nonc1C(N/N=C\c1ccc(-c(ccc(Br)c2)c2C(O)=O)o1)=O
InChI	InChI=1S/C15H10BrN5O5/c16-7-1-3-9(10(5-7)15(23)24)11-4-2-8(25-11)6-18-19-14(22)12-13(17)21-26-20-12/h1-6H,(H2,17,21)(H,19,22)(H,23,24)
InChIK	VYNAUYKLIQWGGT-UHFFFAOYSA-N
TotalMolweight	420.178
Molweight	420.178
MonoisotopicMass	418.986531
CLogP	2.5902
CLogS	-4.896
H Acceptors	10
H Donors	3
TotalSurfaceArea	274.9
Relative PSA	0.4641
PolarSurfaceArea	156.84
Druglikeness	6.2364
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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