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C22H14N3O2Cl3 | Cheminformatics
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(E)-3-[[4-(4-chlorophenyl)-1H-pyrazol-5-yl]amino]-1-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one

Molecular Formula : C22H14N3O2Cl3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-[[4-(4-chlorophenyl)-1H-pyrazol-5-yl]amino]-1-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one is not a drug-like molecule.

MolName : (E)-3-[[4-(4-chlorophenyl)-1H-pyrazol-5-yl]amino]-1-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one

MolecularFormula : C22H14N3O2Cl3

Smiles : O=C(/C=C/Nc([nH]nc1)c1-c(cc1)ccc1Cl)c1ccc(-c(ccc(Cl)c2)c2Cl)o1

InChI : InChI=1S/C22H14Cl3N3O2/c23-14-3-1-13(2-4-14)17-12-27-28-22(17)26-10-9-19(29)21-8-7-20(30-21)16-6-5-15(24)11-18(16)25/h1-12H,(H2,26,27,28)

InChIK : OZYFMPMWCGNRGB-UHFFFAOYSA-N

TotalMolweight : 458.731

Molweight : 458.731

MonoisotopicMass : 457.015158

CLogP : 5.1356

CLogS : -8.638

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 332.53

Relative PSA : 0.19117

PolarSurfaceArea : 70.92

Druglikeness : 4.799

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.63333

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 22

Symmetricatoms : 2

Aromatic Nitrogens : 2

StereoCon :

Click to Load Molecule:
1 - (E)-3-[[4-(4-chlorophenyl)-1H-pyrazol-5-yl]amino]-1-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one
2 - (E)-3-[[4-(4-chlorophenyl)-1H-pyrazol-5-yl]amino]-1-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one
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