2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]acetamide

Formula:C21H14N3O4Cl3 Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-N-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]acetamide
MolecularFormula	C21H14N3O4Cl3
Smiles	O=C(COc(ccc(Cl)c1)c1-c1ccno1)N/N=C\C(COc(cc1)c2cc1Cl)=C2Cl
InChI	InChI=1S/C21H14Cl3N3O4/c22-13-1-3-17(15(7-13)19-5-6-26-31-19)30-11-20(28)27-25-9-12-10-29-18-4-2-14(23)8-16(18)21(12)24/h1-9H,10-11H2,(H,27,28)
InChIK	PNTIPBMHWGOTNX-UHFFFAOYSA-N
TotalMolweight	478.718
Molweight	478.718
MonoisotopicMass	477.004988
CLogP	4.528
CLogS	-5.277
H Acceptors	7
H Donors	1
TotalSurfaceArea	338.4
Relative PSA	0.23963
PolarSurfaceArea	85.95
Druglikeness	4.9221
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	allyl/benzyl chloride; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Aromatic Nitrogens	1
StereoCon

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