5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzene-1,3-dicarboxylic acid

Formula:C15H10N4O5 Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzene-1,3-dicarboxylic acid is a drug-like molecule.

MolName	5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzene-1,3-dicarboxylic acid
MolecularFormula	C15H10N4O5
Smiles	OC(c1cc(C(O)=O)cc(-c2ccc(/C=N/n3cnnc3)o2)c1)=O
InChI	InChI=1S/C15H10N4O5/c20-14(21)10-3-9(4-11(5-10)15(22)23)13-2-1-12(24-13)6-18-19-7-16-17-8-19/h1-8H,(H,20,21)(H,22,23)
InChIK	DPPVYNYANWZIFJ-UHFFFAOYSA-N
TotalMolweight	326.267
Molweight	326.267
MonoisotopicMass	326.065121
CLogP	1.1374
CLogS	-5.796
H Acceptors	9
H Donors	2
TotalSurfaceArea	242.15
Relative PSA	0.44068
PolarSurfaceArea	130.81
Druglikeness	5.8453
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	7
Aromatic Nitrogens	3
AcidicOxygens	2
StereoCon

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