(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-iodophenyl)prop-2-enenitrile

Formula:C19H11N2O2IS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-iodophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-iodophenyl)prop-2-enenitrile
MolecularFormula	C19H11N2O2IS
Smiles	N#C/C(/c1nc(-c(cc2)cc3c2OCO3)cs1)=C\c(cc1)ccc1I
InChI	InChI=1S/C19H11IN2O2S/c20-15-4-1-12(2-5-15)7-14(9-21)19-22-16(10-25-19)13-3-6-17-18(8-13)24-11-23-17/h1-8,10H,11H2
InChIK	NRXONLUVKUODMT-UHFFFAOYSA-N
TotalMolweight	458.274
Molweight	458.274
MonoisotopicMass	457.958596
CLogP	4.4614
CLogS	-6.164
H Acceptors	4
TotalSurfaceArea	280.44
Relative PSA	0.23139
PolarSurfaceArea	83.38
Druglikeness	-1.2617
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-iodophenyl)prop-2-enenitrile | 2 - (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-iodophenyl)prop-2-enenitrile

Request More Details | (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-iodophenyl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments