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

Formula:C22H13N3O3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(5-nitrofuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(5-nitrofuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C22H13N3O3S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)cs1)=C\c1ccc([N+]([O-])=O)o1
InChI	InChI=1S/C22H13N3O3S/c23-13-18(12-19-10-11-21(28-19)25(26)27)22-24-20(14-29-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14H
InChIK	RUPIZXYOTZYOQH-UHFFFAOYSA-N
TotalMolweight	399.429
Molweight	399.429
MonoisotopicMass	399.067762
CLogP	4.1906
CLogS	-7.19
H Acceptors	6
TotalSurfaceArea	307.02
Relative PSA	0.29125
PolarSurfaceArea	123.88
Druglikeness	-4.9078
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments