N'-[(E)-3-phenylprop-2-enoyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carbohydrazide

Formula:C22H18N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:high N'-[(E)-3-phenylprop-2-enoyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carbohydrazide is a drug-like molecule.

MolName	N'-[(E)-3-phenylprop-2-enoyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carbohydrazide
MolecularFormula	C22H18N2O2S
Smiles	O=C(/C=C/c1ccccc1)NNC(c1cc(CCc2c-3cccc2)c3s1)=O
InChI	InChI=1S/C22H18N2O2S/c25-20(13-10-15-6-2-1-3-7-15)23-24-22(26)19-14-17-12-11-16-8-4-5-9-18(16)21(17)27-19/h1-10,13-14H,11-12H2,(H,23,25)(H,24,26)
InChIK	MMBZYKCODXJNNT-UHFFFAOYSA-N
TotalMolweight	374.463
Molweight	374.463
MonoisotopicMass	374.108898
CLogP	4.1845
CLogS	-6.349
H Acceptors	4
H Donors	2
TotalSurfaceArea	287.66
Relative PSA	0.24112
PolarSurfaceArea	86.44
Druglikeness	1.4772
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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1 - N'-[(E)-3-phenylprop-2-enoyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carbohydrazide | 2 - N'-[(E)-3-phenylprop-2-enoyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carbohydrazide

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