(Z)-1-(3-phenyl-1,4-benzodioxin-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

Formula:C17H12N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(3-phenyl-1,4-benzodioxin-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-(3-phenyl-1,4-benzodioxin-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C17H12N4O2
Smiles	C(C1=C(c2ccccc2)Oc(cccc2)c2O1)=N\n1cnnc1
InChI	InChI=1S/C17H12N4O2/c1-2-6-13(7-3-1)17-16(10-20-21-11-18-19-12-21)22-14-8-4-5-9-15(14)23-17/h1-12H
InChIK	YLVWLXFFYHFSAY-UHFFFAOYSA-N
TotalMolweight	304.308
Molweight	304.308
MonoisotopicMass	304.096026
CLogP	2.508
CLogS	-5.894
H Acceptors	6
TotalSurfaceArea	233.68
Relative PSA	0.25813
PolarSurfaceArea	61.53
Druglikeness	3.3405
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.47826
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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1 - (Z)-1-(3-phenyl-1,4-benzodioxin-2-yl)-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-(3-phenyl-1,4-benzodioxin-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

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