[(Z)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] furan-2-carboxylate

Formula:C16H10N3O4ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none [(Z)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] furan-2-carboxylate is a drug-like molecule.

MolName[(Z)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] furan-2-carboxylate
MolecularFormulaC16H10N3O4ClS
SmilesNC(/C(/c1nc(-c(cc2)ccc2Cl)cs1)=N/OC(c1ccco1)=O)=O
InChIInChI=1S/C16H10ClN3O4S/c17-10-5-3-9(4-6-10)11-8-25-15(19-11)13(14(18)21)20-24-16(22)12-2-1-7-23-12/h1-8H,(H2,18,21)
InChIKLAHUBGHTMQOVJB-UHFFFAOYSA-N
TotalMolweight375.791
Molweight375.791
MonoisotopicMass375.008054
CLogP2.5569
CLogS-4.908
H Acceptors7
H Donors1
TotalSurfaceArea269.58
Relative PSA0.40174
PolarSurfaceArea136.02
Druglikeness1.8882
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6
Fragments1
Non HAtoms25
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms1
Symmetricatoms2
Amides1
Aromatic Nitrogens1
StereoCon

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