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C18H12NO4Cl | Cheminformatics
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(4Z)-2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1,3-oxazol-5-one

Molecular Formula : C18H12NO4Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(4Z)-2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.

MolName : (4Z)-2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1,3-oxazol-5-one

MolecularFormula : C18H12NO4Cl

Smiles : O=C1OC(c2cccc(Cl)c2)=N/C1=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C18H12ClNO4/c19-13-3-1-2-12(10-13)17-20-14(18(21)24-17)8-11-4-5-15-16(9-11)23-7-6-22-15/h1-5,8-10H,6-7H2

InChIK : BQMMRKWFBYCNNO-UHFFFAOYSA-N

TotalMolweight : 341.749

Molweight : 341.749

MonoisotopicMass : 341.045486

CLogP : 3.1766

CLogS : -4.837

H Acceptors : 5

TotalSurfaceArea : 244.39

Relative PSA : 0.22321

PolarSurfaceArea : 57.12

Druglikeness : -6.0745

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.58333

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 2

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 5

StereoCon :

Click to Load Molecule:
1 - (4Z)-2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1,3-oxazol-5-one
2 - (4Z)-2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1,3-oxazol-5-one
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