3-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-1-phenylpyrazol-3-yl]chromen-2-one

Formula:C26H17N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-1-phenylpyrazol-3-yl]chromen-2-one is not a drug-like molecule.

MolName	3-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-1-phenylpyrazol-3-yl]chromen-2-one
MolecularFormula	C26H17N5O2S
Smiles	O=C1Oc(cccc2)c2C=C1c(c(/C=N\Nc1nc(cccc2)c2s1)c1)nn1-c1ccccc1
InChI	InChI=1S/C26H17N5O2S/c32-25-20(14-17-8-4-6-12-22(17)33-25)24-18(16-31(30-24)19-9-2-1-3-10-19)15-27-29-26-28-21-11-5-7-13-23(21)34-26/h1-16H,(H,28,29)
InChIK	BOKIROKLRJOYRY-UHFFFAOYSA-N
TotalMolweight	463.52
Molweight	463.52
MonoisotopicMass	463.110295
CLogP	5.9591
CLogS	-5.586
H Acceptors	7
H Donors	1
TotalSurfaceArea	344.98
Relative PSA	0.2759
PolarSurfaceArea	109.64
Druglikeness	4.4918
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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