(E)-5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)hept-2-enoic acid

Formula:C9H3O2F13 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)hept-2-enoic acid is a drug-like molecule.

MolName	(E)-5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)hept-2-enoic acid
MolecularFormula	C9H3O2F13
Smiles	OC(/C=C/C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)=O
InChI	InChI=1S/C9H3F13O2/c10-5(11,6(12,13)9(20,21)22)4(7(14,15)16,8(17,18)19)2-1-3(23)24/h1-2H,(H,23,24)
InChIK	VMBSSRTXPFBWQQ-UHFFFAOYSA-N
TotalMolweight	390.095
Molweight	390.095
MonoisotopicMass	389.992544
CLogP	4.4669
CLogS	-5.034
H Acceptors	2
H Donors	1
TotalSurfaceArea	209.11
Relative PSA	0.12501
PolarSurfaceArea	37.3
Druglikeness	-68.64
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.375
Fragments	1
Non HAtoms	24
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	7
Sp3Atoms	7
Symmetricatoms	10
AcidicOxygens	1
StereoCon

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1 - (E)-5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)hept-2-enoic acid | 2 - (E)-5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)hept-2-enoic acid

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