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

Formula:C18H11N4O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-bromoanilino)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(3-bromoanilino)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H11N4O2BrS
Smiles	N#C/C(/c1nc(-c2cc([N+]([O-])=O)ccc2)cs1)=C\Nc1cccc(Br)c1
InChI	InChI=1S/C18H11BrN4O2S/c19-14-4-2-5-15(8-14)21-10-13(9-20)18-22-17(11-26-18)12-3-1-6-16(7-12)23(24)25/h1-8,10-11,21H
InChIK	UJXLMXKVGXVXIG-UHFFFAOYSA-N
TotalMolweight	427.281
Molweight	427.281
MonoisotopicMass	425.978607
CLogP	2.8872
CLogS	-5.677
H Acceptors	6
H Donors	1
TotalSurfaceArea	287.66
Relative PSA	0.30164
PolarSurfaceArea	122.77
Druglikeness	-8.6322
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

Request More Details | (E)-3-(3-bromoanilino)-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