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C13H13N3O2 10-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydropyrimido[1,2-a]indole | Chemryt

10-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydropyrimido[1,2-a]indole

Molecular Formula : C13H13N3O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : 10-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydropyrimido[1,2-a]indole

MolecularFormula : C13H13N3O2

Smiles : [O-][N+](/C=C/c1c(NCCC2)n2c2c1cccc2)=O

InChI : InChI=1S/C13H13N3O2/c17-16(18)9-6-11-10-4-1-2-5-12(10)15-8-3-7-14-13(11)15/h1-2,4-6,9,14H,3,7-8H2

InChIK : BRXJPIVKAXFHCY-UHFFFAOYSA-N

TotalMolweight : 243.265

Molweight : 243.265

MonoisotopicMass : 243.100777

CLogP : 1.7093

CLogS : -3.52

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 186.47

Relative PSA : 0.26144

PolarSurfaceArea : 62.78

Druglikeness : -2.123

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.5

Fragments : 1

Non HAtoms : 18

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 2

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 9

Sp3Atoms : 5

Aromatic Nitrogens : 1

AcidicOxygens : 1

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