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C21H23N5O | Cheminformatics

N-[(Z)-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]pyridine-4-carboxamide

Molecular Formula : C21H23N5O | Mutagenic : none | Tumorigenic : high | Reproductive Effective : high |

MolName : N-[(Z)-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]pyridine-4-carboxamide

MolecularFormula : C21H23N5O

Smiles : O=C(c1ccncc1)N/N=C(/C(C1)CN(C2)CCN1C1)\C12c1ccccc1

InChI : InChI=1S/C21H23N5O/c27-20(16-6-8-22-9-7-16)24-23-19-17-12-25-10-11-26(13-17)15-21(19,14-25)18-4-2-1-3-5-18/h1-9,17H,10-15H2,(H,24,27)

InChIK : KNOZSASMEMHOSY-UHFFFAOYSA-N

TotalMolweight : 361.448

Molweight : 361.448

MonoisotopicMass : 361.19026

CLogP : 1.6959

CLogS : -2.198

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 269.53

Relative PSA : 0.20065

PolarSurfaceArea : 60.83

Druglikeness : 6.2204

Mutagenic : none

Tumorigenic : high

Reproductive Effective : high

Irritant : none

Nasty Functions : acyl-hydrazone

Shape Index : 0.48148

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 3

Rings Closures : 5

Small Rings : 6

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 10

Symmetricatoms : 8

Amines : 2

AlkylAmines : 2

Aromatic Nitrogens : 1

BasicNitrogens : 2

StereoCon :

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