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C17H14N4O4S | Cheminformatics
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1-(furan-2-ylmethyl)-3-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea

Molecular Formula : C17H14N4O4S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |
1-(furan-2-ylmethyl)-3-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea is a drug-like molecule.

MolName : 1-(furan-2-ylmethyl)-3-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea

MolecularFormula : C17H14N4O4S

Smiles : [O-][N+](c1cccc(-c2ccc(/C=N\NC(NCc3ccco3)=S)o2)c1)=O

InChI : InChI=1S/C17H14N4O4S/c22-21(23)13-4-1-3-12(9-13)16-7-6-15(25-16)11-19-20-17(26)18-10-14-5-2-8-24-14/h1-9,11H,10H2,(H2,18,20,26)

InChIK : VEUOZDDEHGZFKK-UHFFFAOYSA-N

TotalMolweight : 370.388

Molweight : 370.388

MonoisotopicMass : 370.073576

CLogP : 2.5076

CLogS : -5.739

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 289.98

Relative PSA : 0.41751

PolarSurfaceArea : 140.61

Druglikeness : -0.60233

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea

Shape Index : 0.65385

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 3

AcidicOxygens : 1

StereoCon :

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