N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2H-tetrazol-5-amine

Formula:C12H8N7O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.

MolName	N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2H-tetrazol-5-amine
MolecularFormula	C12H8N7O3Cl
Smiles	[O-][N+](c(cc1)cc(-c2ccc(/C=N\Nc3n[nH]nn3)o2)c1Cl)=O
InChI	InChI=1S/C12H8ClN7O3/c13-10-3-1-7(20(21)22)5-9(10)11-4-2-8(23-11)6-14-15-12-16-18-19-17-12/h1-6H,(H2,15,16,17,18,19)
InChIK	OVTBBVWNLICDRF-UHFFFAOYSA-N
TotalMolweight	333.695
Molweight	333.695
MonoisotopicMass	333.037715
CLogP	3.4571
CLogS	-5.213
H Acceptors	10
H Donors	2
TotalSurfaceArea	243.63
Relative PSA	0.46956
PolarSurfaceArea	137.81
Druglikeness	-4.6575
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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