(E)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C19H10N4O2ClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C19H10N4O2ClF3S
Smiles	N#C/C(/c1nc(-c2cc([N+]([O-])=O)ccc2)cs1)=C\Nc(cc1)cc(C(F)(F)F)c1Cl
InChI	InChI=1S/C19H10ClF3N4O2S/c20-16-5-4-13(7-15(16)19(21,22)23)25-9-12(8-24)18-26-17(10-30-18)11-2-1-3-14(6-11)27(28)29/h1-7,9-10,25H
InChIK	YAHIVVZFLPLSCS-UHFFFAOYSA-N
TotalMolweight	450.827
Molweight	450.827
MonoisotopicMass	450.016507
CLogP	3.6163
CLogS	-6.357
H Acceptors	6
H Donors	1
TotalSurfaceArea	313.91
Relative PSA	0.27642
PolarSurfaceArea	122.77
Druglikeness	-13.969
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Request More Details | (E)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments