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C14H19N3O2 (2E)-2-(nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane | Chemryt

(2E)-2-(nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane

Molecular Formula : C14H19N3O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (2E)-2-(nitromethylidene)-1-(3-phenylpropyl)-1,3-diazinane

MolecularFormula : C14H19N3O2

Smiles : [O-][N+](/C=C1/N(CCCc2ccccc2)CCCN1)=O

InChI : InChI=1S/C14H19N3O2/c18-17(19)12-14-15-9-5-11-16(14)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,12,15H,4-5,8-11H2

InChIK : KXMLBHLWLFZDFP-UHFFFAOYSA-N

TotalMolweight : 261.324

Molweight : 261.324

MonoisotopicMass : 261.147727

CLogP : 1.5775

CLogS : -3.807

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 212.46

Relative PSA : 0.21383

PolarSurfaceArea : 61.09

Druglikeness : -2.9506

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.63158

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 5

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 7

Symmetricatoms : 2

AcidicOxygens : 1

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