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C16H10N2O2ClF | Cheminformatics
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(E)-3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

Molecular Formula : C16H10N2O2ClF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
(E)-3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is a drug-like molecule.

MolName : (E)-3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

MolecularFormula : C16H10N2O2ClF

Smiles : OC(/C=C/c1c(-c(cc2)ccc2F)nc(cc2)n1cc2Cl)=O

InChI : InChI=1S/C16H10ClFN2O2/c17-11-3-7-14-19-16(10-1-4-12(18)5-2-10)13(20(14)9-11)6-8-15(21)22/h1-9H,(H,21,22)

InChIK : MWAUKOBYHNHJBI-UHFFFAOYSA-N

TotalMolweight : 316.718

Molweight : 316.718

MonoisotopicMass : 316.041483

CLogP : 2.757

CLogS : -6.132

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 229.4

Relative PSA : 0.19643

PolarSurfaceArea : 54.6

Druglikeness : 1.0829

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions :

Shape Index : 0.5

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 1

Symmetricatoms : 2

Aromatic Nitrogens : 2

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon :

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1 - (E)-3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
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