[(E)-2,3-dibromo-4-(2-chloroethylcarbamoyloxy)but-2-enyl] N-(2-chloroethyl)carbamate

Formula:C10H14N2O4Br2Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high [(E)-2,3-dibromo-4-(2-chloroethylcarbamoyloxy)but-2-enyl] N-(2-chloroethyl)carbamate is a drug-like molecule.

MolName	[(E)-2,3-dibromo-4-(2-chloroethylcarbamoyloxy)but-2-enyl] N-(2-chloroethyl)carbamate
MolecularFormula	C10H14N2O4Br2Cl2
Smiles	O=C(NCCCl)OC/C(/Br)=C(/COC(NCCCl)=O)\Br
InChI	InChI=1S/C10H14Br2Cl2N2O4/c11-7(5-19-9(17)15-3-1-13)8(12)6-20-10(18)16-4-2-14/h1-6H2,(H,15,17)(H,16,18)
InChIK	INXPWXNWVYJWOF-UHFFFAOYSA-N
TotalMolweight	456.945
Molweight	456.945
MonoisotopicMass	453.869734
CLogP	2.664
CLogS	-4.528
H Acceptors	6
H Donors	2
TotalSurfaceArea	265.5
Relative PSA	0.25989
PolarSurfaceArea	76.66
Druglikeness	-16.793
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	1,2-dihalo-alkene
Shape Index	0.8
Fragments	1
Non HAtoms	20
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Sp3Atoms	8
Symmetricatoms	10
Amides	2
StereoCon

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