[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 2-chloroacetate

Formula:C14H10N3O2ClS Mutagenic:high Tumorigenic:high Reproductive Effective:high [(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 2-chloroacetate is a drug-like molecule.

MolName[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 2-chloroacetate
MolecularFormulaC14H10N3O2ClS
SmilesO=C(CCl)O/N=C\c1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C14H10ClN3O2S/c15-8-12(19)20-16-9-11-13(10-4-2-1-3-5-10)17-14-18(11)6-7-21-14/h1-7,9H,8H2
InChIKHCKWNYRQXIQVCO-UHFFFAOYSA-N
TotalMolweight319.771
Molweight319.771
MonoisotopicMass319.018224
CLogP3.581
CLogS-3.555
H Acceptors5
TotalSurfaceArea234.66
Relative PSA0.31463
PolarSurfaceArea84.2
Druglikeness-2.2888
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.57143
Fragments1
Non HAtoms21
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms14
Sp3Atoms2
Symmetricatoms2
Aromatic Nitrogens2
StereoCon

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