(1'R,2'S,3'R,5'S,6'R,8'R,9'R,10'R)-1'-bromospiro[1,3-dioxolane-2,7'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]

Formula:C13H15O2Br Mutagenic:high Tumorigenic:none Reproductive Effective:none (1'R,2'S,3'R,5'S,6'R,8'R,9'R,10'R)-1'-bromospiro[1,3-dioxolane-2,7'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane] is a drug-like molecule.

MolName	(1'R,2'S,3'R,5'S,6'R,8'R,9'R,10'R)-1'-bromospiro[1,3-dioxolane-2,7'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]
MolecularFormula	C13H15O2Br
Smiles	Br[C@](C1)([C@@H]2[C@H]3[C@@H]4[C@H]5[C@H]1[C@H]2C4)[C@H]5C31OCCO1
InChI	InChI=1S/C13H15BrO2/c14-12-4-7-5-3-6-8(7)11(12)13(10(6)9(5)12)15-1-2-16-13/h5-11H,1-4H2/t5-,6-,7+,8+,9-,10+,11-,12+/m0/s1
InChIK	NLSPDGFHTAWCDB-YCRLDJBISA-N
TotalMolweight	283.164
Molweight	283.164
MonoisotopicMass	282.025541
CLogP	1.8655
CLogS	-3.141
H Acceptors	2
TotalSurfaceArea	134.49
Relative PSA	0.14871
PolarSurfaceArea	18.46
Druglikeness	-13.073
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	sec./tert. alkyl-bromide/iodide
Shape Index	0.375
Fragments	1
Non HAtoms	16
NonCHAtoms	3
Electronegative Atoms	3
StereoCenters	8
Rings Closures	6
Small Rings	13
Sp3Atoms	15
Symmetricatoms	2
StereoCon	this enantiomer

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1 - (1'R,2'S,3'R,5'S,6'R,8'R,9'R,10'R)-1'-bromospiro[1,3-dioxolane-2,7'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane] | 2 - (1'R,2'S,3'R,5'S,6'R,8'R,9'R,10'R)-1'-bromospiro[1,3-dioxolane-2,7'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]

Request More Details | (1'R,2'S,3'R,5'S,6'R,8'R,9'R,10'R)-1'-bromospiro[1,3-dioxolane-2,7'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]

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