[(E)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] 3-chloro-1-benzothiophene-2-carboxylate

Formula:C12H7N4O3ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] 3-chloro-1-benzothiophene-2-carboxylate is a drug-like molecule.

MolName	[(E)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] 3-chloro-1-benzothiophene-2-carboxylate
MolecularFormula	C12H7N4O3ClS
Smiles	N/C(/c1nocn1)=N/OC(c(sc1c2cccc1)c2Cl)=O
InChI	InChI=1S/C12H7ClN4O3S/c13-8-6-3-1-2-4-7(6)21-9(8)12(18)20-16-10(14)11-15-5-19-17-11/h1-5H,(H2,14,16)
InChIK	YNWXFPIDLSDRBR-UHFFFAOYSA-N
TotalMolweight	322.732
Molweight	322.732
MonoisotopicMass	321.992738
CLogP	2.7754
CLogS	-4.379
H Acceptors	7
H Donors	1
TotalSurfaceArea	225.43
Relative PSA	0.47123
PolarSurfaceArea	131.84
Druglikeness	-0.26218
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	3-halo-enone
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	1
Aromatic Nitrogens	2
StereoCon

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1 - [(E)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] 3-chloro-1-benzothiophene-2-carboxylate | 2 - [(E)-[amino(1,2,4-oxadiazol-3-yl)methylidene]amino] 3-chloro-1-benzothiophene-2-carboxylate

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