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C21H22N2O2 | Cheminformatics

(4aR,8aR,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

Molecular Formula : C21H22N2O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (4aR,8aR,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

MolecularFormula : C21H22N2O2

Smiles : O=C(CC1OCC=C2[C@H](C3)[C@@H]1C1[C@@]4(CC5)C3N5C2)N1c1c4cccc1

InChI : InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16?,17?,19-,20?,21-/m1/s1

InChIK : QMGVPVSNSZLJIA-NSHPUOQLSA-N

TotalMolweight : 334.418

Molweight : 334.418

MonoisotopicMass : 334.168128

CLogP : 1.5935

CLogS : -3.554

H Acceptors : 4

TotalSurfaceArea : 220.79

Relative PSA : 0.13651

PolarSurfaceArea : 32.78

Druglikeness : 4.5843

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.36

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 4

Electronegative Atoms : 4

StereoCenters : 6

Rings Closures : 7

Small Rings : 7

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 14

Amides : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon : unknown chirality

Request More Details | (4aR,8aR,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one


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