2-(5-aminotetrazol-1-yl)-N'-[1-(4-nitrophenyl)ethenyl]acetohydrazide

Formula:C11H12N8O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(5-aminotetrazol-1-yl)-N'-[1-(4-nitrophenyl)ethenyl]acetohydrazide is not a drug-like molecule.

MolName2-(5-aminotetrazol-1-yl)-N'-[1-(4-nitrophenyl)ethenyl]acetohydrazide
MolecularFormulaC11H12N8O3
SmilesC=C(c(cc1)ccc1[N+]([O-])=O)NNC(Cn1nnnc1N)=O
InChIInChI=1S/C11H12N8O3/c1-7(8-2-4-9(5-3-8)19(21)22)13-14-10(20)6-18-11(12)15-16-17-18/h2-5,13H,1,6H2,(H,14,20)(H2,12,15,17)
InChIKHMBWQROWLYLDNA-UHFFFAOYSA-N
TotalMolweight304.269
Molweight304.269
MonoisotopicMass304.103237
CLogP-1.8124
CLogS-3.24
H Acceptors11
H Donors3
TotalSurfaceArea227.87
Relative PSA0.53289
PolarSurfaceArea156.57
Druglikeness-5.2907
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.63636
Fragments1
Non HAtoms22
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms3
Symmetricatoms2
Aromatic Nitrogens4
AcidicOxygens1
StereoCon

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