[(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] 5-nitrofuran-2-carboxylate

Formula:C15H11N5O5S Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] 5-nitrofuran-2-carboxylate is a drug-like molecule.

MolName	[(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] 5-nitrofuran-2-carboxylate
MolecularFormula	C15H11N5O5S
Smiles	N/C(/Cc(cc1)ccc1-c1csnn1)=N/OC(c1ccc([N+]([O-])=O)o1)=O
InChI	InChI=1S/C15H11N5O5S/c16-13(18-25-15(21)12-5-6-14(24-12)20(22)23)7-9-1-3-10(4-2-9)11-8-26-19-17-11/h1-6,8H,7H2,(H2,16,18)
InChIK	QQKXPAQEXNHFGY-UHFFFAOYSA-N
TotalMolweight	373.348
Molweight	373.348
MonoisotopicMass	373.04809
CLogP	2.3697
CLogS	-5.583
H Acceptors	10
H Donors	1
TotalSurfaceArea	272.6
Relative PSA	0.50128
PolarSurfaceArea	177.66
Druglikeness	-8.5592
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - [(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] 5-nitrofuran-2-carboxylate | 2 - [(E)-[1-amino-2-[4-(thiadiazol-4-yl)phenyl]ethylidene]amino] 5-nitrofuran-2-carboxylate

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