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C18H18N2O2 | Cheminformatics
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4-[(Z)-2-nitroso-1,2-diphenylethenyl]morpholine

Molecular Formula : C18H18N2O2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
4-[(Z)-2-nitroso-1,2-diphenylethenyl]morpholine is a drug-like molecule.

MolName : 4-[(Z)-2-nitroso-1,2-diphenylethenyl]morpholine

MolecularFormula : C18H18N2O2

Smiles : O=N/C(/c1ccccc1)=C(/c1ccccc1)\N1CCOCC1

InChI : InChI=1S/C18H18N2O2/c21-19-17(15-7-3-1-4-8-15)18(16-9-5-2-6-10-16)20-11-13-22-14-12-20/h1-10H,11-14H2

InChIK : XCINXTZVGIOBGZ-UHFFFAOYSA-N

TotalMolweight : 294.353

Molweight : 294.353

MonoisotopicMass : 294.136828

CLogP : 2.3756

CLogS : -2.654

H Acceptors : 4

TotalSurfaceArea : 235.58

Relative PSA : 0.16173

PolarSurfaceArea : 41.9

Druglikeness : 0.67967

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : nitroso

Shape Index : 0.45455

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 5

Symmetricatoms : 6

StereoCon :

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