[(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 2,2-bis(4-chlorophenoxy)acetate

Formula:C20H16N2O5Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:high [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 2,2-bis(4-chlorophenoxy)acetate is a drug-like molecule.

MolName	[(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 2,2-bis(4-chlorophenoxy)acetate
MolecularFormula	C20H16N2O5Cl2
Smiles	C=C([C@@H](C(COC(C(Oc(cc1)ccc1Cl)Oc(cc1)ccc1Cl)=O)=O)C#N)N
InChI	InChI=1S/C20H16Cl2N2O5/c1-12(24)17(10-23)18(25)11-27-19(26)20(28-15-6-2-13(21)3-7-15)29-16-8-4-14(22)5-9-16/h2-9,17,20H,1,11,24H2/t17-/m0/s1
InChIK	XDNAFXKQGLVHML-KRWDZBQOSA-N
TotalMolweight	435.262
Molweight	435.262
MonoisotopicMass	434.043627
CLogP	3.0276
CLogS	-5.296
H Acceptors	7
H Donors	1
TotalSurfaceArea	321.1
Relative PSA	0.26443
PolarSurfaceArea	111.64
Druglikeness	-4.33
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	10
BasicNitrogens	1
StereoCon	this enantiomer

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