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C18H12NO3ClS | Cheminformatics
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(E)-3-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)-1-thiophen-2-ylprop-2-en-1-one

Molecular Formula : C18H12NO3ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName : (E)-3-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)-1-thiophen-2-ylprop-2-en-1-one

MolecularFormula : C18H12NO3ClS

Smiles : O=C(/C=C/c(c(Cl)nc1c2)cc1cc1c2OCCO1)c1cccs1

InChI : InChI=1S/C18H12ClNO3S/c19-18-11(3-4-14(21)17-2-1-7-24-17)8-12-9-15-16(10-13(12)20-18)23-6-5-22-15/h1-4,7-10H,5-6H2

InChIK : LIYJWKOCOQBVBK-UHFFFAOYSA-N

TotalMolweight : 357.816

Molweight : 357.816

MonoisotopicMass : 357.022641

CLogP : 4.1686

CLogS : -5.237

H Acceptors : 4

TotalSurfaceArea : 256.01

Relative PSA : 0.25144

PolarSurfaceArea : 76.66

Druglikeness : -4.1611

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 : 3

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 4

Aromatic Nitrogens : 1

StereoCon :

Click to Load Molecule:
1 - (E)-3-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)-1-thiophen-2-ylprop-2-en-1-one
2 - (E)-3-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)-1-thiophen-2-ylprop-2-en-1-one
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