4-chloro-2-[5-[(Z)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoic acid

Formula:C14H9N4O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-chloro-2-[5-[(Z)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	4-chloro-2-[5-[(Z)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoic acid
MolecularFormula	C14H9N4O3Cl
Smiles	OC(c(ccc(Cl)c1)c1-c1ccc(/C=N\n2cnnc2)o1)=O
InChI	InChI=1S/C14H9ClN4O3/c15-9-1-3-11(14(20)21)12(5-9)13-4-2-10(22-13)6-18-19-7-16-17-8-19/h1-8H,(H,20,21)
InChIK	IGGOXPUMOGYCOY-UHFFFAOYSA-N
TotalMolweight	316.703
Molweight	316.703
MonoisotopicMass	316.036318
CLogP	2.2583
CLogS	-6.519
H Acceptors	7
H Donors	1
TotalSurfaceArea	233.47
Relative PSA	0.3451
PolarSurfaceArea	93.51
Druglikeness	5.8767
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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