N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

Formula:C20H14N7O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is not a drug-like molecule.

MolName	N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
MolecularFormula	C20H14N7O4Cl
Smiles	[O-][N+](c(cc1)cc(Cl)c1-c1ccc(/C=N\NC(Cn2nnc(-c3ccccc3)n2)=O)o1)=O
InChI	InChI=1S/C20H14ClN7O4/c21-17-10-14(28(30)31)6-8-16(17)18-9-7-15(32-18)11-22-23-19(29)12-27-25-20(24-26-27)13-4-2-1-3-5-13/h1-11H,12H2,(H,23,29)
InChIK	LQDUOIIZNUEHLP-UHFFFAOYSA-N
TotalMolweight	451.829
Molweight	451.829
MonoisotopicMass	451.07958
CLogP	3.1362
CLogS	-6.445
H Acceptors	11
H Donors	1
TotalSurfaceArea	334.53
Relative PSA	0.35967
PolarSurfaceArea	144.02
Druglikeness	-2.0741
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65625
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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