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C9H7O2Cl | Cheminformatics
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(E)-1-(4-chlorophenyl)-3-hydroxyprop-2-en-1-one

Molecular Formula : C9H7O2Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1-(4-chlorophenyl)-3-hydroxyprop-2-en-1-one is a drug-like molecule.

MolName : (E)-1-(4-chlorophenyl)-3-hydroxyprop-2-en-1-one

MolecularFormula : C9H7O2Cl

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

InChI : InChI=1S/C9H7ClO2/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-6,11H

InChIK : HUSXKTNWVOVXOI-UHFFFAOYSA-N

TotalMolweight : 182.606

Molweight : 182.606

MonoisotopicMass : 182.013457

CLogP : 1.4181

CLogS : -3.023

H Acceptors : 2

H Donors : 1

TotalSurfaceArea : 139.28

Relative PSA : 0.18768

PolarSurfaceArea : 37.3

Druglikeness : -0.045587

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.75

Fragments : 1

Non HAtoms : 12

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 2

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 1

Symmetricatoms : 2

StereoCon :

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