1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide

Formula:C19H14N8O3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide
MolecularFormula	C19H14N8O3ClF
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cccc2)c2Cl)=O)c1COc(cc1)ccc1F
InChI	InChI=1S/C19H14ClFN8O3/c20-14-4-2-1-3-11(14)9-23-25-19(30)16-15(10-31-13-7-5-12(21)6-8-13)29(28-24-16)18-17(22)26-32-27-18/h1-9H,10H2,(H2,22,26)(H,25,30)
InChIK	DQYQFQMKQDPCAA-UHFFFAOYSA-N
TotalMolweight	456.824
Molweight	456.824
MonoisotopicMass	456.086142
CLogP	3.8043
CLogS	-3.843
H Acceptors	11
H Donors	2
TotalSurfaceArea	334.49
Relative PSA	0.37711
PolarSurfaceArea	146.34
Druglikeness	0.41789
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide

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