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C15H11NOBrCl | Cheminformatics
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(E)-1-(4-bromophenyl)-3-(4-chloroanilino)prop-2-en-1-one

Molecular Formula : C15H11NOBrCl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1-(4-bromophenyl)-3-(4-chloroanilino)prop-2-en-1-one is a drug-like molecule.

MolName : (E)-1-(4-bromophenyl)-3-(4-chloroanilino)prop-2-en-1-one

MolecularFormula : C15H11NOBrCl

Smiles : O=C(/C=C/Nc(cc1)ccc1Cl)c(cc1)ccc1Br

InChI : InChI=1S/C15H11BrClNO/c16-12-3-1-11(2-4-12)15(19)9-10-18-14-7-5-13(17)6-8-14/h1-10,18H

InChIK : GMSFAPKLCCDFSA-UHFFFAOYSA-N

TotalMolweight : 336.615

Molweight : 336.615

MonoisotopicMass : 334.971252

CLogP : 3.8057

CLogS : -5.356

H Acceptors : 2

H Donors : 1

TotalSurfaceArea : 222.78

Relative PSA : 0.10997

PolarSurfaceArea : 29.1

Druglikeness : -1.132

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.73684

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Symmetricatoms : 4

StereoCon :

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