(1E,6E)-bicyclo[5.4.1]dodeca-1,6,8,10-tetraene-3,5-dicarbaldehyde

Formula:C14H14O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E,6E)-bicyclo[5.4.1]dodeca-1,6,8,10-tetraene-3,5-dicarbaldehyde is a drug-like molecule.

MolName	(1E,6E)-bicyclo[5.4.1]dodeca-1,6,8,10-tetraene-3,5-dicarbaldehyde
MolecularFormula	C14H14O2
Smiles	O=CC(C1)/C=C(\C2)/C=CC=C/C2=C/C1C=O
InChI	InChI=1S/C14H14O2/c15-9-13-6-11-3-1-2-4-12(5-11)7-14(8-13)10-16/h1-4,6-7,9-10,13-14H,5,8H2
InChIK	TXHQJSIBXSXOEO-UHFFFAOYSA-N
TotalMolweight	214.263
Molweight	214.263
MonoisotopicMass	214.09938
CLogP	1.6494
CLogS	-2.388
H Acceptors	2
TotalSurfaceArea	180.52
Relative PSA	0.14447
PolarSurfaceArea	34.14
Druglikeness	-3.5335
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	16
NonCHAtoms	2
Electronegative Atoms	2
StereoCenters	2
Rotatable Bond	2
Rings Closures	2
Small Rings	1
Sp3Atoms	4
Symmetricatoms	7
StereoCon	unknown chirality

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