4-(azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline

Formula:C21H21N2O2FS Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline is a drug-like molecule.

MolName	4-(azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline
MolecularFormula	C21H21N2O2FS
Smiles	O=S(c1ccccc1)(c(cnc(c1c2)ccc2F)c1N1CCCCCC1)=O
InChI	InChI=1S/C21H21FN2O2S/c22-16-10-11-19-18(14-16)21(24-12-6-1-2-7-13-24)20(15-23-19)27(25,26)17-8-4-3-5-9-17/h3-5,8-11,14-15H,1-2,6-7,12-13H2
InChIK	LAGYOWGZBQCNOG-UHFFFAOYSA-N
TotalMolweight	384.474
Molweight	384.474
MonoisotopicMass	384.130776
CLogP	3.9566
CLogS	-5.434
H Acceptors	4
TotalSurfaceArea	280.67
Relative PSA	0.15356
PolarSurfaceArea	58.65
Druglikeness	-11.914
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.40741
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	8
Symmetricatoms	6
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

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