2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide

Formula:C15H12N6O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.

MolName	2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
MolecularFormula	C15H12N6O4S
Smiles	Nc1nnc(CC(N/N=C\c2ccc(-c3cc([N+]([O-])=O)ccc3)o2)=O)s1
InChI	InChI=1S/C15H12N6O4S/c16-15-20-19-14(26-15)7-13(22)18-17-8-11-4-5-12(25-11)9-2-1-3-10(6-9)21(23)24/h1-6,8H,7H2,(H2,16,20)(H,18,22)
InChIK	HAZROEBHZANSQG-UHFFFAOYSA-N
TotalMolweight	372.364
Molweight	372.364
MonoisotopicMass	372.064074
CLogP	1.3827
CLogS	-4.889
H Acceptors	10
H Donors	2
TotalSurfaceArea	275.85
Relative PSA	0.50067
PolarSurfaceArea	180.46
Druglikeness	2.7093
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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