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

Formula:C22H11N3O3Cl2S Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-2-[4-[5-(3,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-[5-(3,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enenitrile
MolecularFormula	C22H11N3O3Cl2S
Smiles	N#C/C(/c1nc(-c2ccc(-c(cc3)cc(Cl)c3Cl)o2)cs1)=C\c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C22H11Cl2N3O3S/c23-17-6-3-14(10-18(17)24)20-7-8-21(30-20)19-12-31-22(26-19)15(11-25)9-13-1-4-16(5-2-13)27(28)29/h1-10,12H
InChIK	SWEYEAFAIVAGLI-UHFFFAOYSA-N
TotalMolweight	468.319
Molweight	468.319
MonoisotopicMass	466.989816
CLogP	5.1792
CLogS	-7.497
H Acceptors	6
TotalSurfaceArea	337.86
Relative PSA	0.26467
PolarSurfaceArea	123.88
Druglikeness	-5.702
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
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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