(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide

Formula:C26H17N3O2ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
MolecularFormula	C26H17N3O2ClF3
Smiles	N#C/C(/C(Nc(cc(C(F)(F)F)cc1)c1Cl)=O)=C\c1c[nH]c(cc2)c1cc2OCc1ccccc1
InChI	InChI=1S/C26H17ClF3N3O2/c27-22-8-6-19(26(28,29)30)11-24(22)33-25(34)17(13-31)10-18-14-32-23-9-7-20(12-21(18)23)35-15-16-4-2-1-3-5-16/h1-12,14,32H,15H2,(H,33,34)
InChIK	QFRZQMMYVOLNOQ-UHFFFAOYSA-N
TotalMolweight	495.887
Molweight	495.887
MonoisotopicMass	495.096138
CLogP	5.8301
CLogS	-7.15
H Acceptors	5
H Donors	2
TotalSurfaceArea	361.22
Relative PSA	0.17178
PolarSurfaceArea	77.91
Druglikeness	-9.1028
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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