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C18H13N2OBr (3E)-3-[(4-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one | Chemryt

(3E)-3-[(4-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

Molecular Formula : C18H13N2OBr | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (3E)-3-[(4-bromophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

MolecularFormula : C18H13N2OBr

Smiles : O=C1N(CC/C2=C\c(cc3)ccc3Br)C2=Nc2c1cccc2

InChI : InChI=1S/C18H13BrN2O/c19-14-7-5-12(6-8-14)11-13-9-10-21-17(13)20-16-4-2-1-3-15(16)18(21)22/h1-8,11H,9-10H2

InChIK : HPRXYXQHOXJMCR-UHFFFAOYSA-N

TotalMolweight : 353.218

Molweight : 353.218

MonoisotopicMass : 352.021124

CLogP : 3.7193

CLogS : -4.287

H Acceptors : 3

TotalSurfaceArea : 227.9

Relative PSA : 0.1233

PolarSurfaceArea : 32.67

Druglikeness : 2.1185

Mutagenic : none

Tumorigenic : none

Reproductive Effective : low

Irritant : none

Shape Index : 0.59091

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 1

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

Symmetricatoms : 2

Amides : 1

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