(E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-2-cyanoprop-2-enoic acid

Formula:C16H7NO3F6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-2-cyanoprop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-2-cyanoprop-2-enoic acid
MolecularFormula	C16H7NO3F6
Smiles	N#C/C(/C(O)=O)=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
InChI	InChI=1S/C16H7F6NO3/c17-15(18,19)10-3-8(4-11(6-10)16(20,21)22)13-2-1-12(26-13)5-9(7-23)14(24)25/h1-6H,(H,24,25)
InChIK	CNLMEJOEKKZVBO-UHFFFAOYSA-N
TotalMolweight	375.224
Molweight	375.224
MonoisotopicMass	375.033012
CLogP	3.9614
CLogS	-5.287
H Acceptors	4
H Donors	1
TotalSurfaceArea	252.15
Relative PSA	0.2134
PolarSurfaceArea	74.23
Druglikeness	-9.8293
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.46154
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	8
AcidicOxygens	1
StereoCon

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