3-(benzenesulfonyl)-6-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline

Formula:C25H21N3O2ClFS Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-(benzenesulfonyl)-6-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline is a drug-like molecule.

MolName	3-(benzenesulfonyl)-6-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline
MolecularFormula	C25H21N3O2ClFS
Smiles	O=S(c1ccccc1)(c1cnc(ccc(Cl)c2)c2c1N(CC1)CCN1c(cc1)ccc1F)=O
InChI	InChI=1S/C25H21ClFN3O2S/c26-18-6-11-23-22(16-18)25(24(17-28-23)33(31,32)21-4-2-1-3-5-21)30-14-12-29(13-15-30)20-9-7-19(27)8-10-20/h1-11,16-17H,12-15H2
InChIK	AJQXMHPBKMQQOL-UHFFFAOYSA-N
TotalMolweight	481.978
Molweight	481.978
MonoisotopicMass	481.102702
CLogP	4.6612
CLogS	-6.358
H Acceptors	5
TotalSurfaceArea	338.63
Relative PSA	0.13776
PolarSurfaceArea	61.89
Druglikeness	-5.0076
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	6
Symmetricatoms	7
Amines	2
Aromatic Amines	2
Aromatic Nitrogens	1
StereoCon

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