[(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] (E)-3-phenylprop-2-enoate

Formula:C20H14N2O2F6 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] (E)-3-phenylprop-2-enoate is not a drug-like molecule.

MolName	[(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] (E)-3-phenylprop-2-enoate
MolecularFormula	C20H14N2O2F6
Smiles	N/C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N/OC(/C=C/c1ccccc1)=O
InChI	InChI=1S/C20H14F6N2O2/c21-19(22,23)15-10-14(11-16(12-15)20(24,25)26)6-8-17(27)28-30-18(29)9-7-13-4-2-1-3-5-13/h1-12H,(H2,27,28)
InChIK	GIGPKEDHIRTCTB-UHFFFAOYSA-N
TotalMolweight	428.331
Molweight	428.331
MonoisotopicMass	428.095946
CLogP	5.4271
CLogS	-5.832
H Acceptors	4
H Donors	1
TotalSurfaceArea	304.18
Relative PSA	0.16378
PolarSurfaceArea	64.68
Druglikeness	-11.89
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	10
StereoCon

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1 - [(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] (E)-3-phenylprop-2-enoate | 2 - [(E)-[(E)-1-amino-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enylidene]amino] (E)-3-phenylprop-2-enoate

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