3-(benzenesulfonyl)-6-chloro-4-(4-phenylpiperazin-1-yl)quinoline

Formula:C25H22N3O2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-(benzenesulfonyl)-6-chloro-4-(4-phenylpiperazin-1-yl)quinoline is a drug-like molecule.

MolName	3-(benzenesulfonyl)-6-chloro-4-(4-phenylpiperazin-1-yl)quinoline
MolecularFormula	C25H22N3O2ClS
Smiles	O=S(c1ccccc1)(c1cnc(ccc(Cl)c2)c2c1N(CC1)CCN1c1ccccc1)=O
InChI	InChI=1S/C25H22ClN3O2S/c26-19-11-12-23-22(17-19)25(24(18-27-23)32(30,31)21-9-5-2-6-10-21)29-15-13-28(14-16-29)20-7-3-1-4-8-20/h1-12,17-18H,13-16H2
InChIK	FIOKEEGVUYUHAY-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	-1.8159
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
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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