(Z)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine

Formula:C16H10N5O3BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C16H10N5O3BrCl2
Smiles	[O-][N+](c(cc(cc1/C=N\n2cnnc2)Br)c1OCc(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C16H10BrCl2N5O3/c17-12-3-11(6-22-23-8-20-21-9-23)16(15(4-12)24(25)26)27-7-10-1-2-13(18)5-14(10)19/h1-6,8-9H,7H2
InChIK	CUNYSMXNIZAMNB-UHFFFAOYSA-N
TotalMolweight	471.097
Molweight	471.097
MonoisotopicMass	468.934405
CLogP	3.592
CLogS	-8.417
H Acceptors	8
TotalSurfaceArea	301.16
Relative PSA	0.2681
PolarSurfaceArea	98.12
Druglikeness	-3.9089
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - (Z)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine

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