(Z)-1-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine

Formula:C17H15N5O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C17H15N5O4
Smiles	[O-][N+](c(cc1)ccc1OCCOc1c(/C=N\n2cnnc2)cccc1)=O
InChI	InChI=1S/C17H15N5O4/c23-22(24)15-5-7-16(8-6-15)25-9-10-26-17-4-2-1-3-14(17)11-20-21-12-18-19-13-21/h1-8,11-13H,9-10H2
InChIK	JLBNJZXUAQYQNE-UHFFFAOYSA-N
TotalMolweight	353.337
Molweight	353.337
MonoisotopicMass	353.112405
CLogP	1.6617
CLogS	-6.038
H Acceptors	9
TotalSurfaceArea	275.45
Relative PSA	0.32942
PolarSurfaceArea	107.35
Druglikeness	-9.0391
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - (Z)-1-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine

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