N-[(1Z)-3,4,4-trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]naphthalen-1-amine

Formula:C20H13N2O2Cl3S Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(1Z)-3,4,4-trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]naphthalen-1-amine is not a drug-like molecule.

MolName	N-[(1Z)-3,4,4-trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]naphthalen-1-amine
MolecularFormula	C20H13N2O2Cl3S
Smiles	[O-][N+](/C(/C(Cl)=C(Cl)Cl)=C(/Nc1cccc2ccccc12)\Sc1ccccc1)=O
InChI	InChI=1S/C20H13Cl3N2O2S/c21-17(19(22)23)18(25(26)27)20(28-14-9-2-1-3-10-14)24-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,24H
InChIK	PFSXYRGYGJPBMO-UHFFFAOYSA-N
TotalMolweight	451.76
Molweight	451.76
MonoisotopicMass	449.976329
CLogP	6.9641
CLogS	-8.442
H Acceptors	4
H Donors	1
TotalSurfaceArea	312.34
Relative PSA	0.19008
PolarSurfaceArea	83.15
Druglikeness	-4.7776
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	allyl/benzyl chloride; 1,1-dihalo-alkene; 1,2-dihalo-alkene
Shape Index	0.42857
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	3
AcidicOxygens	1
StereoCon

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