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C23H19N3O4 | Cheminformatics

[1-(1,3-benzodioxol-5-yl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone

Molecular Formula : C23H19N3O4 | Mutagenic : low | Tumorigenic : none | Reproductive Effective : none |
[1-(1,3-benzodioxol-5-yl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone is a drug-like molecule.

MolName : [1-(1,3-benzodioxol-5-yl)-9H-pyrido[3,4-b]indol-3-yl]-morpholin-4-ylmethanone

MolecularFormula : C23H19N3O4

Smiles : O=C(c1nc(-c(cc2)cc3c2OCO3)c2[nH]c(cccc3)c3c2c1)N1CCOCC1

InChI : InChI=1S/C23H19N3O4/c27-23(26-7-9-28-10-8-26)18-12-16-15-3-1-2-4-17(15)24-22(16)21(25-18)14-5-6-19-20(11-14)30-13-29-19/h1-6,11-12,24H,7-10,13H2

InChIK : LNXCZMVTWSBRLS-UHFFFAOYSA-N

TotalMolweight : 401.421

Molweight : 401.421

MonoisotopicMass : 401.137557

CLogP : 3.6049

CLogS : -5.07

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 290.4

Relative PSA : 0.24638

PolarSurfaceArea : 76.68

Druglikeness : 2.878

Mutagenic : low

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.43333

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 2

Rings Closures : 6

Small Rings : 6

Aromatic Rings : 4

Aromatic Atoms : 19

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 2

StereoCon :

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