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

Formula:C19H10N3O3ClF2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[2-(difluoromethoxy)-5-nitrophenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[2-(difluoromethoxy)-5-nitrophenyl]prop-2-enenitrile
MolecularFormula	C19H10N3O3ClF2S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\c(cc(cc1)[N+]([O-])=O)c1OC(F)F
InChI	InChI=1S/C19H10ClF2N3O3S/c20-14-3-1-11(2-4-14)16-10-29-18(24-16)13(9-23)7-12-8-15(25(26)27)5-6-17(12)28-19(21)22/h1-8,10,19H
InChIK	NTLRNOSPVUHVIR-UHFFFAOYSA-N
TotalMolweight	433.821
Molweight	433.821
MonoisotopicMass	433.009945
CLogP	3.7667
CLogS	-6.255
H Acceptors	6
TotalSurfaceArea	308.19
Relative PSA	0.27681
PolarSurfaceArea	119.97
Druglikeness	-9.5054
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	3
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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

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