3-(4-chlorophenyl)sulfonyl-4-[4-(2-fluorophenyl)piperazin-1-yl]quinoline

Formula:C25H21N3O2ClFS Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-(4-chlorophenyl)sulfonyl-4-[4-(2-fluorophenyl)piperazin-1-yl]quinoline is a drug-like molecule.

MolName	3-(4-chlorophenyl)sulfonyl-4-[4-(2-fluorophenyl)piperazin-1-yl]quinoline
MolecularFormula	C25H21N3O2ClFS
Smiles	O=S(c(cc1)ccc1Cl)(c(cnc1ccccc11)c1N(CC1)CCN1c(cccc1)c1F)=O
InChI	InChI=1S/C25H21ClFN3O2S/c26-18-9-11-19(12-10-18)33(31,32)24-17-28-22-7-3-1-5-20(22)25(24)30-15-13-29(14-16-30)23-8-4-2-6-21(23)27/h1-12,17H,13-16H2
InChIK	OLWROWHCQYATPL-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	4.1268
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	7
Symmetricatoms	5
Amines	2
Aromatic Amines	2
Aromatic Nitrogens	1
StereoCon

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