N'-[1-(4-nitrophenyl)ethenyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide

Formula:C23H19N7O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[1-(4-nitrophenyl)ethenyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide is a drug-like molecule.

MolName	N'-[1-(4-nitrophenyl)ethenyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
MolecularFormula	C23H19N7O3
Smiles	C=C(c(cc1)ccc1[N+]([O-])=O)NNC(c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)=O
InChI	InChI=1S/C23H19N7O3/c1-16(18-11-13-21(14-12-18)30(32)33)24-26-23(31)20-9-7-17(8-10-20)15-29-27-22(25-28-29)19-5-3-2-4-6-19/h2-14,24H,1,15H2,(H,26,31)
InChIK	OITTYDMYSGYVQM-UHFFFAOYSA-N
TotalMolweight	441.45
Molweight	441.45
MonoisotopicMass	441.154938
CLogP	2.3829
CLogS	-5.486
H Acceptors	10
H Donors	2
TotalSurfaceArea	338.87
Relative PSA	0.31328
PolarSurfaceArea	130.55
Druglikeness	-8.7108
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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