2-[4-amino-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]-N-[(Z)-benzylideneamino]acetamide

Formula:C18H17N6O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-amino-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]-N-[(Z)-benzylideneamino]acetamide is a drug-like molecule.

MolName	2-[4-amino-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]-N-[(Z)-benzylideneamino]acetamide
MolecularFormula	C18H17N6O2Cl
Smiles	NN(C(Cc(cc1)ccc1Cl)=NN1CC(N/N=C\c2ccccc2)=O)C1=O
InChI	InChI=1S/C18H17ClN6O2/c19-15-8-6-13(7-9-15)10-16-23-24(18(27)25(16)20)12-17(26)22-21-11-14-4-2-1-3-5-14/h1-9,11H,10,12,20H2,(H,22,26)
InChIK	CEVZBHBQNZSMQX-UHFFFAOYSA-N
TotalMolweight	384.826
Molweight	384.826
MonoisotopicMass	384.110151
CLogP	1.5497
CLogS	-4.691
H Acceptors	8
H Donors	2
TotalSurfaceArea	286.27
Relative PSA	0.28969
PolarSurfaceArea	103.39
Druglikeness	4.8361
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
StereoCon

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