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C10H8O3Cl | Cheminformatics
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(E)-4-(4-chlorophenyl)-4-hydroxybut-2-enoate

Molecular Formula : C10H8O3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-4-(4-chlorophenyl)-4-hydroxybut-2-enoate is a drug-like molecule.

MolName : (E)-4-(4-chlorophenyl)-4-hydroxybut-2-enoate

MolecularFormula : C10H8O3Cl

Smiles : [O-]C(/C=C/C(c(cc1)ccc1Cl)O)=O

InChI : InChI=1S/C10H9ClO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-6,9,12H,(H,13,14)/p-1/t9-/m0/s1

InChIK : FPLZDFIDWYDARU-VIFPVBQESA-M

TotalMolweight : 211.624

Molweight : 211.624

MonoisotopicMass : 211.016197

CLogP : -0.7407

CLogS : -2.094

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 159.31

Relative PSA : 0.25372

PolarSurfaceArea : 60.36

Druglikeness : 0.0085723

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.71429

Fragments : 1

Non HAtoms : 14

NonCHAtoms : 4

Electronegative Atoms : 4

StereoCenters : 1

Rotatable Bond : 3

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 3

Symmetricatoms : 2

AcidicOxygens : 1

StereoCon : racemate

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