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C15H9O3Cl | Cheminformatics
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2-(4-chlorophenyl)-7-hydroxychromen-4-one

Molecular Formula : C15H9O3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
2-(4-chlorophenyl)-7-hydroxychromen-4-one is a drug-like molecule.

MolName : 2-(4-chlorophenyl)-7-hydroxychromen-4-one

MolecularFormula : C15H9O3Cl

Smiles : Oc(cc1)cc(OC(c(cc2)ccc2Cl)=C2)c1C2=O

InChI : InChI=1S/C15H9ClO3/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,17H

InChIK : OFHGICWRYGZKGX-UHFFFAOYSA-N

TotalMolweight : 272.686

Molweight : 272.686

MonoisotopicMass : 272.024022

CLogP : 3.6331

CLogS : -4.184

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 193.75

Relative PSA : 0.18653

PolarSurfaceArea : 46.53

Druglikeness : 0.37786

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.57895

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 1

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

Symmetricatoms : 2

StereoCon :

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