N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-2,4-dinitroaniline

Formula:C15H11N8O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-2,4-dinitroaniline is not a drug-like molecule.

MolName	N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-2,4-dinitroaniline
MolecularFormula	C15H11N8O4Br
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\Cc1nnnn1-c(cc1)ccc1Br)=O
InChI	InChI=1S/C15H11BrN8O4/c16-10-1-3-11(4-2-10)22-15(19-20-21-22)7-8-17-18-13-6-5-12(23(25)26)9-14(13)24(27)28/h1-6,8-9,18H,7H2
InChIK	FNYFZHGRSSYGMM-UHFFFAOYSA-N
TotalMolweight	447.208
Molweight	447.208
MonoisotopicMass	446.008663
CLogP	2.1982
CLogS	-4.373
H Acceptors	12
H Donors	1
TotalSurfaceArea	294.21
Relative PSA	0.42007
PolarSurfaceArea	159.63
Druglikeness	-5.3389
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	4
AcidicOxygens	2
StereoCon

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