[(E)-2,3-dibromo-4-[(3-chlorophenyl)carbamoyloxy]but-2-enyl] N-(3-chlorophenyl)carbamate

Formula:C18H14N2O4Br2Cl2 Mutagenic:low Tumorigenic:low Reproductive Effective:low [(E)-2,3-dibromo-4-[(3-chlorophenyl)carbamoyloxy]but-2-enyl] N-(3-chlorophenyl)carbamate is not a drug-like molecule.

MolName	[(E)-2,3-dibromo-4-[(3-chlorophenyl)carbamoyloxy]but-2-enyl] N-(3-chlorophenyl)carbamate
MolecularFormula	C18H14N2O4Br2Cl2
Smiles	O=C(Nc1cc(Cl)ccc1)OC/C(/Br)=C(/COC(Nc1cc(Cl)ccc1)=O)\Br
InChI	InChI=1S/C18H14Br2Cl2N2O4/c19-15(9-27-17(25)23-13-5-1-3-11(21)7-13)16(20)10-28-18(26)24-14-6-2-4-12(22)8-14/h1-8H,9-10H2,(H,23,25)(H,24,26)
InChIK	ZKLRXVVIMVSZIA-UHFFFAOYSA-N
TotalMolweight	553.033
Molweight	553.033
MonoisotopicMass	549.869734
CLogP	6.0222
CLogS	-7.612
H Acceptors	6
H Donors	2
TotalSurfaceArea	329.98
Relative PSA	0.2091
PolarSurfaceArea	76.66
Druglikeness	-14.333
Mutagenic	low
Tumorigenic	low
Reproductive Effective	low
Irritant	low
Nasty Functions	1,2-dihalo-alkene
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	14
Amides	2
StereoCon

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