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

Formula:C18H10N3O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile
MolecularFormula	C18H10N3O2BrS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Br)cs1)=C\c1cc([N+]([O-])=O)ccc1
InChI	InChI=1S/C18H10BrN3O2S/c19-15-6-4-13(5-7-15)17-11-25-18(21-17)14(10-20)8-12-2-1-3-16(9-12)22(23)24/h1-9,11H
InChIK	NBYFRLUBKHXZPS-UHFFFAOYSA-N
TotalMolweight	412.266
Molweight	412.266
MonoisotopicMass	410.967708
CLogP	3.7165
CLogS	-5.731
H Acceptors	5
TotalSurfaceArea	276.2
Relative PSA	0.27266
PolarSurfaceArea	110.74
Druglikeness	-8.5895
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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