(Z)-1-[3-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine

Formula:C17H16N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-[3-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-[3-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C17H16N4O2
Smiles	C(COc1cc(/C=N\n2cnnc2)ccc1)Oc1ccccc1
InChI	InChI=1S/C17H16N4O2/c1-2-6-16(7-3-1)22-9-10-23-17-8-4-5-15(11-17)12-20-21-13-18-19-14-21/h1-8,11-14H,9-10H2
InChIK	UWUUPMGADYENFH-UHFFFAOYSA-N
TotalMolweight	308.34
Molweight	308.34
MonoisotopicMass	308.127326
CLogP	2.5833
CLogS	-5.578
H Acceptors	6
TotalSurfaceArea	251.78
Relative PSA	0.23957
PolarSurfaceArea	61.53
Druglikeness	-3.8214
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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