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C23H14NO5Br | Cheminformatics
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(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one

Molecular Formula : C23H14NO5Br | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one is a drug-like molecule.

MolName : (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one

MolecularFormula : C23H14NO5Br

Smiles : [O-][N+](c(cc1)ccc1-c1ccc(C(/C=C/c2ccc(-c(cc3)ccc3Br)o2)=O)o1)=O

InChI : InChI=1S/C23H14BrNO5/c24-17-5-1-15(2-6-17)21-12-10-19(29-21)9-11-20(26)23-14-13-22(30-23)16-3-7-18(8-4-16)25(27)28/h1-14H

InChIK : JWWURJMPVRCVKR-UHFFFAOYSA-N

TotalMolweight : 464.27

Molweight : 464.27

MonoisotopicMass : 463.005535

CLogP : 4.9852

CLogS : -8.054

H Acceptors : 6

TotalSurfaceArea : 318.47

Relative PSA : 0.22508

PolarSurfaceArea : 89.17

Druglikeness : -4.8013

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 1

Symmetricatoms : 4

AcidicOxygens : 1

StereoCon :

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