3-chloro-N'-[(1E)-cycloocten-1-yl]-1-benzothiophene-2-carbohydrazide

Formula:C17H19N2OClS Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-chloro-N'-[(1E)-cycloocten-1-yl]-1-benzothiophene-2-carbohydrazide is not a drug-like molecule.

MolName	3-chloro-N'-[(1E)-cycloocten-1-yl]-1-benzothiophene-2-carbohydrazide
MolecularFormula	C17H19N2OClS
Smiles	O=C(c(sc1c2cccc1)c2Cl)NN/C1=C/CCCCCC1
InChI	InChI=1S/C17H19ClN2OS/c18-15-13-10-6-7-11-14(13)22-16(15)17(21)20-19-12-8-4-2-1-3-5-9-12/h6-8,10-11,19H,1-5,9H2,(H,20,21)
InChIK	HUOOOCHXRXHGRQ-UHFFFAOYSA-N
TotalMolweight	334.87
Molweight	334.87
MonoisotopicMass	334.09066
CLogP	5.2164
CLogS	-6.159
H Acceptors	3
H Donors	2
TotalSurfaceArea	253.66
Relative PSA	0.22203
PolarSurfaceArea	69.37
Druglikeness	-2.4661
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	3-halo-enone
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	7
StereoCon

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