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C21H22N2O2 (14E)-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one | Chemryt

(14E)-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one

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

MolName : (14E)-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one

MolecularFormula : C21H22N2O2

Smiles : OC/C=C(/CN(CC1)C(C2)C11c(cccc3)c3N3C11)\C2C1=CCC3=O

InChI : InChI=1S/C21H22N2O2/c24-10-7-13-12-22-9-8-21-16-3-1-2-4-17(16)23-19(25)6-5-14(20(21)23)15(13)11-18(21)22/h1-5,7,15,18,20,24H,6,8-12H2

InChIK : PNYOGGAOQVIZDM-UHFFFAOYSA-N

TotalMolweight : 334.418

Molweight : 334.418

MonoisotopicMass : 334.168128

CLogP : 1.8188

CLogS : -3.208

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 230.35

Relative PSA : 0.1443

PolarSurfaceArea : 43.78

Druglikeness : 4.5247

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.44

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 4

Electronegative Atoms : 4

StereoCenters : 4

Rotatable Bond : 1

Rings Closures : 6

Small Rings : 6

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 12

Amides : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon : unknown chirality

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