2-[(2Z)-2-(3-oxoinden-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylic acid

Formula:C13H9N3O3S Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(2Z)-2-(3-oxoinden-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylic acid is a drug-like molecule.

MolName	2-[(2Z)-2-(3-oxoinden-1-ylidene)hydrazinyl]-1,3-thiazole-4-carboxylic acid
MolecularFormula	C13H9N3O3S
Smiles	OC(c1csc(N/N=C(/C2)\c(cccc3)c3C2=O)n1)=O
InChI	InChI=1S/C13H9N3O3S/c17-11-5-9(7-3-1-2-4-8(7)11)15-16-13-14-10(6-20-13)12(18)19/h1-4,6H,5H2,(H,14,16)(H,18,19)
InChIK	BAYRCAZTPGNIHL-UHFFFAOYSA-N
TotalMolweight	287.298
Molweight	287.298
MonoisotopicMass	287.036462
CLogP	3.6148
CLogS	-3.779
H Acceptors	6
H Donors	2
TotalSurfaceArea	204.26
Relative PSA	0.45765
PolarSurfaceArea	119.89
Druglikeness	4.5389
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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