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C19H12N2O3Cl2 | Cheminformatics
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(3E)-3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid

Molecular Formula : C19H12N2O3Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(3E)-3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid is a drug-like molecule.

MolName : (3E)-3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid

MolecularFormula : C19H12N2O3Cl2

Smiles : OC(c(cc1)cc(N=C2N3CC/C2=C\c(c(Cl)ccc2)c2Cl)c1C3=O)=O

InChI : InChI=1S/C19H12Cl2N2O3/c20-14-2-1-3-15(21)13(14)8-10-6-7-23-17(10)22-16-9-11(19(25)26)4-5-12(16)18(23)24/h1-5,8-9H,6-7H2,(H,25,26)

InChIK : SPTVKLAADLINBK-UHFFFAOYSA-N

TotalMolweight : 387.221

Molweight : 387.221

MonoisotopicMass : 386.022497

CLogP : 3.6912

CLogS : -4.938

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 264.21

Relative PSA : 0.20529

PolarSurfaceArea : 69.97

Druglikeness : 3.8542

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.5

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 2

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 3

Symmetricatoms : 3

Amides : 1

AcidicOxygens : 1

StereoCon :

Click to Load Molecule:
1 - (3E)-3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
2 - (3E)-3-[(2,6-dichlorophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
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