(E)-3-[3,5-bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile

Formula:C18H9N2OClF6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3,5-bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[3,5-bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile
MolecularFormula	C18H9N2OClF6
Smiles	N#C/C(/C(c(cccc1)c1Cl)=O)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI	InChI=1S/C18H9ClF6N2O/c19-15-4-2-1-3-14(15)16(28)10(8-26)9-27-13-6-11(17(20,21)22)5-12(7-13)18(23,24)25/h1-7,9,27H
InChIK	XTBDOWREAPUTGF-UHFFFAOYSA-N
TotalMolweight	418.723
Molweight	418.723
MonoisotopicMass	418.030758
CLogP	4.6291
CLogS	-6.35
H Acceptors	3
H Donors	1
TotalSurfaceArea	282.99
Relative PSA	0.13449
PolarSurfaceArea	52.89
Druglikeness	-10.717
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	8
StereoCon

Click to Load Molecule:

1 - (E)-3-[3,5-bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile | 2 - (E)-3-[3,5-bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile

Request More Details | (E)-3-[3,5-bis(trifluoromethyl)anilino]-2-(2-chlorobenzoyl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments