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C23H17N2O3F | Cheminformatics
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N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluorochromen-4-ylidene]amino]aniline

Molecular Formula : C23H17N2O3F | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |
N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluorochromen-4-ylidene]amino]aniline is not a drug-like molecule.

MolName : N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluorochromen-4-ylidene]amino]aniline

MolecularFormula : C23H17N2O3F

Smiles : Fc(cc1)cc2c1OC(c(cc1)cc3c1OCCO3)=C/C2=N\Nc1ccccc1

InChI : InChI=1S/C23H17FN2O3/c24-16-7-9-20-18(13-16)19(26-25-17-4-2-1-3-5-17)14-22(29-20)15-6-8-21-23(12-15)28-11-10-27-21/h1-9,12-14,25H,10-11H2

InChIK : JAZUOHOBLICYJM-UHFFFAOYSA-N

TotalMolweight : 388.397

Molweight : 388.397

MonoisotopicMass : 388.122321

CLogP : 6.7004

CLogS : -5.449

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 288.79

Relative PSA : 0.18342

PolarSurfaceArea : 52.08

Druglikeness : -7.0403

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.51724

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 3

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 5

Symmetricatoms : 2

StereoCon :

Click to Load Molecule:
1 - N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluorochromen-4-ylidene]amino]aniline
2 - N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluorochromen-4-ylidene]amino]aniline
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