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C20H10NO3BrCl2 | Cheminformatics
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(4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one

Molecular Formula : C20H10NO3BrCl2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one is not a drug-like molecule.

MolName : (4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one

MolecularFormula : C20H10NO3BrCl2

Smiles : O=C1OC(c(ccc(Cl)c2)c2Cl)=N/C1=C/c1ccc(-c(cc2)ccc2Br)o1

InChI : InChI=1S/C20H10BrCl2NO3/c21-12-3-1-11(2-4-12)18-8-6-14(26-18)10-17-20(25)27-19(24-17)15-7-5-13(22)9-16(15)23/h1-10H

InChIK : RLPSIPPQGUAGIH-UHFFFAOYSA-N

TotalMolweight : 463.113

Molweight : 463.113

MonoisotopicMass : 460.922109

CLogP : 5.4679

CLogS : -7.685

H Acceptors : 4

TotalSurfaceArea : 293.87

Relative PSA : 0.16558

PolarSurfaceArea : 51.8

Druglikeness : 0.17455

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.62963

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 1

Symmetricatoms : 2

StereoCon :

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