N-[(Z)-(3-oxocyclohexylidene)amino]-4-(quinolin-8-ylsulfanylmethyl)benzamide

Formula:C23H21N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(3-oxocyclohexylidene)amino]-4-(quinolin-8-ylsulfanylmethyl)benzamide is a drug-like molecule.

MolName	N-[(Z)-(3-oxocyclohexylidene)amino]-4-(quinolin-8-ylsulfanylmethyl)benzamide
MolecularFormula	C23H21N3O2S
Smiles	O=C(c1ccc(CSc2cccc3cccnc23)cc1)N/N=C(/CCC1)\CC1=O
InChI	InChI=1S/C23H21N3O2S/c27-20-7-2-6-19(14-20)25-26-23(28)18-11-9-16(10-12-18)15-29-21-8-1-4-17-5-3-13-24-22(17)21/h1,3-5,8-13H,2,6-7,14-15H2,(H,26,28)
InChIK	HVUOLQCMLIJSNQ-UHFFFAOYSA-N
TotalMolweight	403.505
Molweight	403.505
MonoisotopicMass	403.135447
CLogP	4.5213
CLogS	-6.37
H Acceptors	5
H Donors	1
TotalSurfaceArea	309.1
Relative PSA	0.25076
PolarSurfaceArea	96.72
Druglikeness	-0.64789
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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