9-(azepan-1-yl)-8-(benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline

Formula:C23H24N2O4S Mutagenic:high Tumorigenic:none Reproductive Effective:none 9-(azepan-1-yl)-8-(benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline is a drug-like molecule.

MolName	9-(azepan-1-yl)-8-(benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
MolecularFormula	C23H24N2O4S
Smiles	O=S(c1ccccc1)(c(cnc(c1c2)cc3c2OCCO3)c1N1CCCCCC1)=O
InChI	InChI=1S/C23H24N2O4S/c26-30(27,17-8-4-3-5-9-17)22-16-24-19-15-21-20(28-12-13-29-21)14-18(19)23(22)25-10-6-1-2-7-11-25/h3-5,8-9,14-16H,1-2,6-7,10-13H2
InChIK	MPVBZNXEETXTMB-UHFFFAOYSA-N
TotalMolweight	424.52
Molweight	424.52
MonoisotopicMass	424.145678
CLogP	3.8346
CLogS	-5.302
H Acceptors	6
TotalSurfaceArea	308.34
Relative PSA	0.20464
PolarSurfaceArea	77.11
Druglikeness	-17.571
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	12
Symmetricatoms	6
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

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