(3Z)-3-bromo-6,6-dichlorohexa-1,3,5-trien-2-ol

Formula:C6H5OBrCl2 Mutagenic:high Tumorigenic:low Reproductive Effective:high (3Z)-3-bromo-6,6-dichlorohexa-1,3,5-trien-2-ol is a drug-like molecule.

MolName	(3Z)-3-bromo-6,6-dichlorohexa-1,3,5-trien-2-ol
MolecularFormula	C6H5OBrCl2
Smiles	C=C(/C(/Br)=C/C=C(Cl)Cl)O
InChI	InChI=1S/C6H5BrCl2O/c1-4(10)5(7)2-3-6(8)9/h2-3,10H,1H2
InChIK	YGKLYMSIVQQAIG-UHFFFAOYSA-N
TotalMolweight	243.915
Molweight	243.915
MonoisotopicMass	241.89008
CLogP	4.0068
CLogS	-3.518
H Acceptors	1
H Donors	1
TotalSurfaceArea	141.49
Relative PSA	0.092586
PolarSurfaceArea	20.23
Druglikeness	-8.4418
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	1,1-dihalo-alkene
Shape Index	0.7
Fragments	1
Non HAtoms	10
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Sp3Atoms	1
Symmetricatoms	1
StereoCon

Click to Load Molecule: