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

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

MolName	(E)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)prop-2-enenitrile
MolecularFormula	C22H13N3O3S
Smiles	N#C/C(/c1nc(-c2cc([N+]([O-])=O)ccc2)cs1)=C\c1ccc(-c2ccccc2)o1
InChI	InChI=1S/C22H13N3O3S/c23-13-17(12-19-9-10-21(28-19)15-5-2-1-3-6-15)22-24-20(14-29-22)16-7-4-8-18(11-16)25(26)27/h1-12,14H
InChIK	OLLGQCXUFXKODG-UHFFFAOYSA-N
TotalMolweight	399.429
Molweight	399.429
MonoisotopicMass	399.067762
CLogP	3.9302
CLogS	-6.357
H Acceptors	6
TotalSurfaceArea	307.02
Relative PSA	0.29125
PolarSurfaceArea	123.88
Druglikeness	-5.7652
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
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	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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