3-(benzenesulfonyl)-4-[4-(4-chlorophenyl)piperazin-1-yl]quinoline

Formula:C25H22N3O2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-(benzenesulfonyl)-4-[4-(4-chlorophenyl)piperazin-1-yl]quinoline is a drug-like molecule.

MolName	3-(benzenesulfonyl)-4-[4-(4-chlorophenyl)piperazin-1-yl]quinoline
MolecularFormula	C25H22N3O2ClS
Smiles	O=S(c1ccccc1)(c(cnc1ccccc11)c1N(CC1)CCN1c(cc1)ccc1Cl)=O
InChI	InChI=1S/C25H22ClN3O2S/c26-19-10-12-20(13-11-19)28-14-16-29(17-15-28)25-22-8-4-5-9-23(22)27-18-24(25)32(30,31)21-6-2-1-3-7-21/h1-13,18H,14-17H2
InChIK	JLYZFSPKKYJXOQ-UHFFFAOYSA-N
TotalMolweight	463.988
Molweight	463.988
MonoisotopicMass	463.112124
CLogP	4.5604
CLogS	-6.044
H Acceptors	5
TotalSurfaceArea	332.28
Relative PSA	0.14039
PolarSurfaceArea	61.89
Druglikeness	-3.5636
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
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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