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C17H12N2OCl2 | Cheminformatics
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(1Z)-7-chloro-1-[(4-chlorophenyl)methylidene]-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole

Molecular Formula : C17H12N2OCl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(1Z)-7-chloro-1-[(4-chlorophenyl)methylidene]-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole is not a drug-like molecule.

MolName : (1Z)-7-chloro-1-[(4-chlorophenyl)methylidene]-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole

MolecularFormula : C17H12N2OCl2

Smiles : Clc1ccc(/C=C2\OCCn3c2nc(cc2)c3cc2Cl)cc1

InChI : InChI=1S/C17H12Cl2N2O/c18-12-3-1-11(2-4-12)9-16-17-20-14-6-5-13(19)10-15(14)21(17)7-8-22-16/h1-6,9-10H,7-8H2

InChIK : PKIKAGWBJUSYRR-UHFFFAOYSA-N

TotalMolweight : 331.201

Molweight : 331.201

MonoisotopicMass : 330.032667

CLogP : 5.0979

CLogS : -3.894

H Acceptors : 3

TotalSurfaceArea : 235.15

Relative PSA : 0.11839

PolarSurfaceArea : 27.05

Druglikeness : 2.612

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.59091

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 1

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 3

Symmetricatoms : 2

Aromatic Nitrogens : 2

BasicNitrogens : 1

StereoCon :

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1 - (1Z)-7-chloro-1-[(4-chlorophenyl)methylidene]-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole
2 - (1Z)-7-chloro-1-[(4-chlorophenyl)methylidene]-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole
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