3-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]-6,8-dichlorochromen-2-one

Formula:C19H11N3O2Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:high 3-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]-6,8-dichlorochromen-2-one is not a drug-like molecule.

MolName	3-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]-6,8-dichlorochromen-2-one
MolecularFormula	C19H11N3O2Cl2S
Smiles	O=C(C(c1csc(N/N=C\c2ccccc2)n1)=Cc1cc(Cl)c2)Oc1c2Cl
InChI	InChI=1S/C19H11Cl2N3O2S/c20-13-6-12-7-14(18(25)26-17(12)15(21)8-13)16-10-27-19(23-16)24-22-9-11-4-2-1-3-5-11/h1-10H,(H,23,24)
InChIK	CDRPVVBWIOFGKZ-UHFFFAOYSA-N
TotalMolweight	416.287
Molweight	416.287
MonoisotopicMass	414.994901
CLogP	6.8252
CLogS	-6.089
H Acceptors	5
H Donors	1
TotalSurfaceArea	293.5
Relative PSA	0.26351
PolarSurfaceArea	91.82
Druglikeness	4.3896
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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