[(2Z)-2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]hydrazinyl] 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate

Formula:C15H12N6O5S Mutagenic:high Tumorigenic:high Reproductive Effective:low [(2Z)-2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]hydrazinyl] 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate is not a drug-like molecule.

MolName	[(2Z)-2-[[5-(2-nitrophenyl)furan-2-yl]methylidene]hydrazinyl] 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate
MolecularFormula	C15H12N6O5S
Smiles	Nc1nnc(CC(ON/N=C\c2ccc(-c(cccc3)c3[N+]([O-])=O)o2)=O)s1
InChI	InChI=1S/C15H12N6O5S/c16-15-19-18-13(27-15)7-14(22)26-20-17-8-9-5-6-12(25-9)10-3-1-2-4-11(10)21(23)24/h1-6,8,20H,7H2,(H2,16,19)
InChIK	YENWNQFNDPJKSJ-UHFFFAOYSA-N
TotalMolweight	388.363
Molweight	388.363
MonoisotopicMass	388.058989
CLogP	2.0992
CLogS	-4.939
H Acceptors	11
H Donors	2
TotalSurfaceArea	285.85
Relative PSA	0.51814
PolarSurfaceArea	189.69
Druglikeness	-4.2743
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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