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C15H10N2O4S | Cheminformatics
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4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoic acid

Molecular Formula : C15H10N2O4S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName : 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoic acid

MolecularFormula : C15H10N2O4S

Smiles : NC(S/C1=C\c2ccc(-c(cc3)ccc3C(O)=O)o2)=NC1=O

InChI : InChI=1S/C15H10N2O4S/c16-15-17-13(18)12(22-15)7-10-5-6-11(21-10)8-1-3-9(4-2-8)14(19)20/h1-7H,(H,19,20)(H2,16,17,18)

InChIK : JLRKRQCTYQGDKJ-UHFFFAOYSA-N

TotalMolweight : 314.32

Molweight : 314.32

MonoisotopicMass : 314.036128

CLogP : 1.363

CLogS : -4.762

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 224.75

Relative PSA : 0.43408

PolarSurfaceArea : 131.19

Druglikeness : 3.225

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

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

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon :

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1 - 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoic acid
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