(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide

Formula:C28H18N2O2ClF3 Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
MolecularFormula	C28H18N2O2ClF3
Smiles	N#C/C(/C(Nc(cc(C(F)(F)F)cc1)c1Cl)=O)=C\c(cccc1)c1OCc1cccc2ccccc12
InChI	InChI=1S/C28H18ClF3N2O2/c29-24-13-12-22(28(30,31)32)15-25(24)34-27(35)21(16-33)14-19-7-2-4-11-26(19)36-17-20-9-5-8-18-6-1-3-10-23(18)20/h1-15H,17H2,(H,34,35)
InChIK	ZASDJWOSKQINDX-UHFFFAOYSA-N
TotalMolweight	506.91
Molweight	506.91
MonoisotopicMass	506.100889
CLogP	6.9851
CLogS	-8.231
H Acceptors	4
H Donors	1
TotalSurfaceArea	371.65
Relative PSA	0.12932
PolarSurfaceArea	62.12
Druglikeness	-9.1028
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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