N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide

Formula:C24H21N3O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide is a drug-like molecule.

MolName	N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide
MolecularFormula	C24H21N3O4S
Smiles	O=C(c1cccc(S(N2CCCCC2)(=O)=O)c1)N/N=C(\c1cccc2cccc3c12)/C3=O
InChI	InChI=1S/C24H21N3O4S/c28-23-20-12-6-8-16-7-5-11-19(21(16)20)22(23)25-26-24(29)17-9-4-10-18(15-17)32(30,31)27-13-2-1-3-14-27/h4-12,15H,1-3,13-14H2,(H,26,29)
InChIK	ZGIIVAGQVNVVSE-UHFFFAOYSA-N
TotalMolweight	447.514
Molweight	447.514
MonoisotopicMass	447.125277
CLogP	4.0407
CLogS	-6.012
H Acceptors	7
H Donors	1
TotalSurfaceArea	318.23
Relative PSA	0.2551
PolarSurfaceArea	104.29
Druglikeness	-2.8338
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	6
Symmetricatoms	3
Amides	1
StereoCon

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