[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromo-6-methoxyphenyl] acetate

Formula:C19H14N3O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromo-6-methoxyphenyl] acetate is a drug-like molecule.

MolName	[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromo-6-methoxyphenyl] acetate
MolecularFormula	C19H14N3O3Br
Smiles	CC(Oc(c(OC)cc(/C=C(/c1nc(cccc2)c2[nH]1)\C#N)c1)c1Br)=O
InChI	InChI=1S/C19H14BrN3O3/c1-11(24)26-18-14(20)8-12(9-17(18)25-2)7-13(10-21)19-22-15-5-3-4-6-16(15)23-19/h3-9H,1-2H3,(H,22,23)
InChIK	GOKQGHMDCQZPRY-UHFFFAOYSA-N
TotalMolweight	412.242
Molweight	412.242
MonoisotopicMass	411.021853
CLogP	3.4636
CLogS	-4.276
H Acceptors	6
H Donors	1
TotalSurfaceArea	283.27
Relative PSA	0.25262
PolarSurfaceArea	88
Druglikeness	-5.4743
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	4
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromo-6-methoxyphenyl] acetate | 2 - [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromo-6-methoxyphenyl] acetate

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