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C19H12O2ClF | Cheminformatics
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(E)-1-(4-chlorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one

Molecular Formula : C19H12O2ClF | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(E)-1-(4-chlorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one is a drug-like molecule.

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

MolecularFormula : C19H12O2ClF

Smiles : O=C(/C=C/c1ccc(-c(cc2)ccc2F)o1)c(cc1)ccc1Cl

InChI : InChI=1S/C19H12ClFO2/c20-15-5-1-13(2-6-15)18(22)11-9-17-10-12-19(23-17)14-3-7-16(21)8-4-14/h1-12H

InChIK : RTGUXEXVBZWXHI-UHFFFAOYSA-N

TotalMolweight : 326.753

Molweight : 326.753

MonoisotopicMass : 326.050985

CLogP : 4.9495

CLogS : -6.35

H Acceptors : 2

TotalSurfaceArea : 248.49

Relative PSA : 0.10926

PolarSurfaceArea : 30.21

Druglikeness : 0.48304

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.69565

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Symmetricatoms : 4

StereoCon :

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