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C15H10N2O4S | Cheminformatics
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4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid

Molecular Formula : C15H10N2O4S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |
4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName : 4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid

MolecularFormula : C15H10N2O4S

Smiles : OC(c(cc1)ccc1-c1ccc(/C=C(\C(N2)=O)/NC2=S)o1)=O

InChI : InChI=1S/C15H10N2O4S/c18-13-11(16-15(22)17-13)7-10-5-6-12(21-10)8-1-3-9(4-2-8)14(19)20/h1-7H,(H,19,20)(H2,16,17,18,22)

InChIK : VSEUBSIOCPHOEN-UHFFFAOYSA-N

TotalMolweight : 314.32

Molweight : 314.32

MonoisotopicMass : 314.036128

CLogP : 1.6528

CLogS : -4.293

H Acceptors : 6

H Donors : 3

TotalSurfaceArea : 231.4

Relative PSA : 0.45035

PolarSurfaceArea : 123.66

Druglikeness : 3.158

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : none

Nasty Functions : thio-amide/urea

Shape Index : 0.63636

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

Symmetricatoms : 2

Amides : 1

AcidicOxygens : 1

StereoCon :

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