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C24H13O3ClF4 | Cheminformatics
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(E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one

Molecular Formula : C24H13O3ClF4 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one is not a drug-like molecule.

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

MolecularFormula : C24H13O3ClF4

Smiles : O=C(/C=C/c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1)c1ccc(-c(cc2)ccc2F)o1

InChI : InChI=1S/C24H13ClF4O3/c25-19-8-3-15(24(27,28)29)13-18(19)22-10-7-17(31-22)6-9-20(30)23-12-11-21(32-23)14-1-4-16(26)5-2-14/h1-13H

InChIK : SZVXWMMCHBGMSJ-UHFFFAOYSA-N

TotalMolweight : 460.809

Molweight : 460.809

MonoisotopicMass : 460.048934

CLogP : 6.7367

CLogS : -8.588

H Acceptors : 3

TotalSurfaceArea : 327.4

Relative PSA : 0.12602

PolarSurfaceArea : 43.35

Druglikeness : -5.0703

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : high

Nasty Functions :

Shape Index : 0.59375

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 1

Symmetricatoms : 4

StereoCon :

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1 - (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one
2 - (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one
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