S-(4-chlorophenyl) (E)-3-(4-chloro-3-nitrophenyl)prop-2-enethioate

Formula:C15H9NO3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none S-(4-chlorophenyl) (E)-3-(4-chloro-3-nitrophenyl)prop-2-enethioate is a drug-like molecule.

MolName	S-(4-chlorophenyl) (E)-3-(4-chloro-3-nitrophenyl)prop-2-enethioate
MolecularFormula	C15H9NO3Cl2S
Smiles	[O-][N+](c(cc(/C=C/C(Sc(cc1)ccc1Cl)=O)cc1)c1Cl)=O
InChI	InChI=1S/C15H9Cl2NO3S/c16-11-3-5-12(6-4-11)22-15(19)8-2-10-1-7-13(17)14(9-10)18(20)21/h1-9H
InChIK	CKYMWVSZPQBBET-UHFFFAOYSA-N
TotalMolweight	354.212
Molweight	354.212
MonoisotopicMass	352.968018
CLogP	3.5735
CLogS	-5.318
H Acceptors	4
TotalSurfaceArea	249.27
Relative PSA	0.24451
PolarSurfaceArea	88.19
Druglikeness	-4.522
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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